Virtually screened ligands of TLR-1/TLR-2

ZINC ID:
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Rank Zinc_Id Compound Delta_G Mol_wt ES Vdw Desolv RotBond Availability
163887176
 N-ethyl-2-oxo-benzimidazole-5-sulfonamide		-65.0241.272-25.47-15.32 p=-25.10, ap=0.83
3
Molport:MolPort-008-431-209ADME
239962616
 N,N-dimethyl-2-oxo-benzimidazole-5-sulfonamide		-63.5241.272-24.49-14.62p=-25.12, ap=0.64
2
Molport:MolPort-002-257-396ADME
320254485
 N-(2-aminoethyl)pyrrolidine-1-sulfonamide		-56.9194.28-63.012.87p=2.98, ap=0.22
4
UORSY BB Make-on-demand:BBV-32186683
Enamine BB Make on Demand:BBV-32186683
ADME
4182069
-52.7241.312-44.02-3.79 p=-3.46, ap=-1.44
3
Innovapharm:STT-00338365
NCI Plated 2007:61573
Princeton BioMolecular Research:OSSL_290000
eMolecules:1233461
TimTec:ST50646574
Enamine BB Make on Demand:BBV-39256082
UORSY BB Make-on-demand:BBV-39256082
Molport:MolPort-001-525-759
ADME
557846619
 N-(4H-1,2,4-triazol-3-yl)-1H-indole-2-carboxamide		-38.6 227.227-18.59-20.92p=3.26, ap=-2.35
2
UORSY BB Make-on-demand:BBV-36659783
Mcule:MCULE-1495830829
Enamine BB Make on Demand:BBV-36659783
Mcule Make-on-demand:MCULE-1495830829
eMolecules:48565422
Otava (Virtual):5624138
IBScreen:STOCK7S-41720
ADME
620050650
 2-(phenethylamino)-1-pyrrolidin-1-yl-ethanone		-38.2233.335-43.74-14.08p=21.87, ap=-2.31
5
UORSY BB Make-on-demand:BBV-149124
Enamine BB Make on Demand:BBV-149124
ADME
726258239
 1H-Indole-2-carboxamide, 5-fluoro-N-1H-1,2,4-triazol-3-yl- (9CI)		-37.7245.217-21.11-19.87 p=5.75, ap=-2.55
2
Chemstep:37527ADME
897376658
 N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide		-36.9 243.27-19.27-19.49 p=3.66, ap=-1.80
3
Enamine-REAL:Z1677955867ADME
937469155
 (1S)-1-cyclopentyl-N-methyl-1-pyrimidin-2-yl-methanamine		-36.0192.286-40.51-13.33p=19.17, ap=-1.37
3
UORSY BB Make-on-demand:BBV-29386204
Enamine BB Make on Demand:BBV-29386204
ADME
1059371981
 2-(1H-benzimidazol-2-ylamino)-1H-pyrimidine-4,6-dione		-36 242.218-22.14-19.29p=7.98, ap=-2.55
2
Scientific Exchange (make on demand):POD_38/0963ADME
1194993120
 N-(5-isobutyl-4H-1,2,4-triazol-3-yl)pyridine-2-carboxamide		-35.7245.286-19.48-17.96 p=3.46, ap=-1.76
4
Mcule:MCULE-6171977526
Princeton BioMolecular Research:OSSL_748811
Otava:6248106
Molport:MolPort-023-291-855
eMolecules:44679470
Mcule Make-on-demand:MCULE-6171977526
ADME
1295940279
 N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)pyrazine-2-carboxamide		-35.5243.25-19.95-18.93 p=4.10, ap=-0.81
3
eMolecules:48765022
Enamine:Z1677960829
Molport:MolPort-028-955-788
ADME
1397376633
 N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide		-35.2246.314-18.06-17.05p=2.78, ap=-2.88
4
Enamine-REAL:Z1677961615ADME
1419849865
 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1H-1,2,4-triazol-3-yl)acetamide		-34.9238.256-19.88-19.64p=6.88, ap=-2.35
4
Pharmeks:PHAR257679
Princeton BioMolecular Research:OSSL_266667
Vitas-M:STK514250
eMolecules:29485997
IBScreen:STOCK6S-92364
Molport:MolPort-008-311-422
Mcule Make-on-demand:MCULE-9422062432
ADME
1564543280
 N-[(3S)-5-methyl-3H-1,2,4-triazol-3-yl]benzamide		-34.9202.217-16.21-19.77p=3.42, ap=-2.42
2
eMolecules:33019419
Mcule:MCULE-3036043347
Otava (Virtual):5642532
Ambinter:Amb20402320
Mcule Make-on-demand:MCULE-3036043347
ADME
1616545033
 N-(1-naphthyl)-1,2,4-triazole-1-carboxamide		-34.9238.25-16.37-17.98 p=2.20, ap=-2.79
1
Labotest:LT03015795
TimTec:ST51035297
ADME
1735488080
 (1S)-2-(3-methoxyphenyl)-N-methyl-1-(2-thienyl)ethanamine		-34.7248.371-43.84-11.85 p=23.19, ap=-2.19
5
AKOS (make-on-demand):AKOS005838723
UORSY BB Make-on-demand:BBV-24889864
Enamine BB Make on Demand:BBV-24889864
ADME
185483985
 N-phenyl-2H-1,2,4-triazole-3-carboxamide		-34.6187.182-16.35-19.21 p=2.43, ap=-1.47
2
Florida Heterocyclic Compounds:9148
UORSY BB Make-on-demand:BBV-42875672
Enamine BB Make on Demand:BBV-43863101
Otava (Virtual):5765966
ADME
19496162
 2-[(2-hydroxyphenyl)thio]phenol		-34.5218.277-22.32-14.96 p=2.04, ap=0.66
2
NAADME
2071726686
 (3R)-3-(methylamino)-4-oxo-4-(2-thienyl)butanoic		-34.5213.258-29.95-13.24p=10.70, ap=-2.02
5
NAADME
2137469151
 (1S)-1-cyclohexyl-N-methyl-1-pyrimidin-2-yl-methanamine		-34.3206.313-39-12.13 p=18.02, ap=-1.18
3
UORSY BB Make-on-demand:BBV-29386202
Enamine BB Make on Demand:BBV-29386202
ADME
2296171758
 3,3,3-trifluoro-2,2-dihydroxy-N-phenyl-propanamide		-34.2235.161-21.13-16.95 p=3.92, ap=-0.05
3
MolMall (formerly Molecular Diversity Preservation International):101482ADME
2367173268
 (S)-1-(2-carboxyphenyl)-3-isopropyl piperazine		-34.1247.318-34.19-12.73p=14.84, ap=-2.02
3
ChemMol:30202389
Zylexa Pharma BB:ZP-BB-AS003053
AKOS (make-on-demand):AKOS015841832
Chembo Pharma:KB-210565
ADME
2477365777
(3R)-3-amino-3-(2-methyl-1H-benzimidazol-5-yl)butanoic		-34.0233.271-27.08-18.94 p=12.85, ap=-0.89
3
NAADME
258652428
 BS-4-83		-34.0241.254-14.2-20.3 p=3.70, ap=-3.21
2
Scientific Exchange (make on demand):C-096461
IBScreen Bioactives:Bio-0444
NCI Plated 2007:524409
Asinex:BAS02927258
eMolecules:1407433
ZereneX Building Blocks:ZBioX-0376
Princeton BioMolecular Research:OSSK_542409
Vitas-M:STK167609
ADME
26394190
 1H-Benzimidazol-2-amine, N-(4,6-dimethyl-2-pyrimidinyl)-; 2-(2-Benzimidazole)amino-4,6-dimethylpyrimidine; LS-32551; NSC 57514		-33.9239.282-13.47-20.43 p=3.32, ap=-3.37
2
Vitas-M:STK031786
Scientific Exchange:H-084007
Innovapharm:STT-00111786
TimTec:ST50103963
Princeton BioMolecular Research:OSSK_334684
eMolecules:656965
IBScreen:STOCK1S-80767
Mcule Make-on-demand:MCULE-9670749896
ADME
2764029043
 (5S)-5-methyl-N-(1H-1,2,4-triazol-5-yl)-5,6-dihydroimidazo[1,2-a]pyridine-2-carboxamide		-33.8243.25-18.41-16.5p=3.63, ap=-2.58
2
Molport:MolPort-009-181-351ADME
285396924
 1-(1H-Benzimidazol-2-yl)-3-methyl-1H-pyrazol-5-ol		-33.8214.228-19.8-17.16 p=5.22, ap=-2.10
1
Innovapharm Make-on-Demand:VT-00233412
eMolecules:3963412
Innovapharm:STT-00010960
Vitas-M:STK164660
Scientific Exchange:POD_63/0624
Scientific Exchange:M-157185
eMolecules:31648332
Matrix Scientific:036937
ADME
2997376632
 N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide		-33.8246.314-17.09-16.66p=2.26, ap=-2.32
4
Enamine-REAL:Z1677961615ADME
3065372302
 1-[2-(1,2,4-triazol-4-ylmethyl)phenyl]-1,2,4-triazole		-33.6226.243-12.65-21.54p=5.35, ap=-4.80
3
ChemBridge:15393606
Molport:MolPort-016-594-064
eMolecules:32372002
Mcule Make-on-demand:MCULE-3851185113
Mcule:MCULE-3851185113
ADME
315730454
 N-(2,5-dimethylphenyl)-2H-1,2,4-triazole-3-carboxamide		-33.5216.244-16.95-16.93p=2.06, ap=-1.75
2
Aldrich CPR:T324191
ALDRICH
eMolecules:8601738
Scientific Exchange (make on demand):E-025361
Molport:MolPort-002-934-248
Ambinter:Amb1787910
Enamine BB Make on Demand:BBV-42866639
Mcule:MCULE-6638961946
Mcule Make-on-demand:MCULE-6638961946
ADME
323182402
 N-(1H-1,2,4-triazol-3-yl)isonicotinamide		-33.4189.178-16.2-19.72p=3.89, ap=-1.46
2
Innovapharm Make-on-Demand:VT-00368983
UORSY BB Make-on-demand:BBV-36626382
Enamine BB Make on Demand:BBV-36626382
Otava (Virtual):5438901
AKOS (make-on-demand):AKOS002939235
ADME
339059532
 2-(1H-benzoimidazol-2-yl)-4,5-dimethyl-pyrazol-3-ol		-33.4228.255-16.79-18.66p=4.30, ap=-2.31
1
ChemBridge:9104981
eMolecules:4754323
Scientific Exchange:F-113301
Vitas-M:STK241726
Innovapharm:STT-00273585
Innovapharm Make-on-Demand:VT-00489137
Enamine BB Make on Demand:BBV-41199581
TimTec Make-on-Demand:ST50762740
ADME
3440973751
 (1R,5S)-7-chloro-N-methyl-1-oxo-2,3,4,5-tetrahydrobenzo[b]thiepin-5-amine		-33.4 244.767-28.19-11.03p=6.66, ap=-0.86
1
UORSY BB Make-on-demand:BBV-32632702
Enamine BB Make on Demand:BBV-32632702
ADME
35572766
 N-(4,5-dicyano-1H-imidazol-2-yl)thiophene-2-carboxamide		-33.4243.251-16.67-20.18 p=3.22, ap=0.23
2
eMolecules:23979486
Mcule Make-on-demand:MCULE-1226748970
Molport:MolPort-005-703-478
Mcule:MCULE-1226748970
Enamine:Z57061004
Ambinter:Amb3693644
ADME
3654965290
 1-(2-carboxyphenyl)-3-ethyl-piperazine		-33.4233.291-34.12-12.49 p=15.14, ap=-1.95
3
ChemMol:30201824
Zylexa Pharma BB:ZP-BB-AS002036
ChemMol:44012740
Tetrahedron Building Blocks:TS25582
Tractus:TRA0010105
American Custom Chemicals Corp.:CCH0002332
AKOS (make-on-demand):AKOS015841907
Chembo Pharma:KB-146465
ADME
3735127576
 N-thiazol-2-yl-1H-indole-2-carboxamide		-33.4243.291-15.32-20.79 p=4.81, ap=-2.11
2
Life Chemicals (Virtual):F5791-0859 Enamine BB Make on Demand:BBV-25145797ADME
3857517779
 (3R)-3-(2-chlorophenyl)-3-(dimethylamino)propanoic		-33.3 226.683-20.7-17.02 p=7.59, ap=-3.26
4
Enamine BB Make on Demand:BBV-38848954
UORSY BB Make-on-demand:BBV-38848954
ADME
3913745191
-33.2232.218-16.66-19.74 p=4.51, ap=-1.37
2
Vitas-M:STK423302
Princeton BioMolecular Research:OSSL_185727
TimTec:ST50834561
eMolecules:8004819
Mcule Make-on-demand:MCULE-8694311555
Zelinsky Institute:UZI/1070744
AKOS:AKOS003334355
Mcule:MCULE-8694311555
ADME
4076168196
 (3S)-3-[(1-hydroxyimidazol-2-yl)methyl]-1-methyl-piperazine		-33.1197.262-32.27-11.07 p=10.52, ap=-0.36
2
NAADME
4137414326
 (1S)-N-methyl-1,2-bis(2-thienyl)ethanamine		-33.1224.374-36.67-14.58p=20.30, ap=-2.22
4
Enamine BB Make on Demand:BBV-27229043ADME
4235149435
 N-pyrimidin-2-yl-1H-indole-2-carboxamide		-33.1238.25-13.12-21.82p=4.17, ap=-2.34
2
UORSY BB Make-on-demand:BBV-25152848
Enamine BB Make on Demand:BBV-25152848
ADME
4347343388
 (1R,2R)-2-methyl-N-[5-(2-pyridyl)-4H-1,2,4-triazol-3-yl]cyclopropanecarboxamide		-33.1242.262-16.31-17.78 p=3.33, ap=-2.36
3
NAADME
4462015176
 2-[[(1R)-1-(2-chlorophenyl)ethyl]-methyl-amino]acetic		-33.1227.691-22.7-15.53p=8.47, ap=-3.35
4
Enamine BB Make on Demand:BBV-40288600ADME
4563216010
 3-(4-fluoro-1H-benzimidazol-2-yl)pyrazin-2-amine		-33.1 229.218-15.13-20.21 p=3.57, ap=-1.34
1
UORSY BB Make-on-demand:BBV-37178374ADME
4647343355
 N-[5-(2-pyridyl)-4H-1,2,4-triazol-3-yl]cyclobutanecarboxamide		-33.0243.27-18.91-16.75p=4.89, ap=-2.30
3
eMolecules:48744655
Enamine:Z653339414
ADME
4782379079
 (2R)-2-amino-3-(1H-imidazo[4,5-b]pyridin-2-yl)propanoic		-33.0 206.205-29.2-12.59p=9.18, ap=-0.40
3
NAADME
4868572046
 N-(4-methyl-2-pyridyl)-1H-benzimidazol-2-amine		-32.9 225.275-16.4-16.66 p=2.75, ap=-2.68
2
MolMall (formerly Molecular Diversity Preservation International):10958
AKOS:AKOS004903152
ADME
4976167662
 1-methyl-5-[[(3R)-morpholin-3-yl]methyl]pyrazole-4-carboxylic		-32.9225.248-32.37-14.76 p=15.28, ap=-1.14
3
NAADME
5082309515
 (2R,3S)-3-amino-2-hydroxy-4-(1-naphthyl)butanoic		-32.9244.27-23.73-17.98p=10.29, ap=-1.54
4
NAADME
5140071197
 N-(4H-1,2,4-triazol-3-yl)pyridine-2-carboxamide		-32.9 188.17-18.21-16.46 p=3.51, ap=-1.77
2
Ambinter:Amb10718050
eMolecules:29653537
UORSY BB Make-on-demand:BBV-36628284
Mcule:MCULE-8382625166
Enamine:Z352544566
Enamine BB Make on Demand:BBV-36628284
Otava (Virtual):5616534
Mcule Make-on-demand:MCULE-8382625166
ADME
529001839
 N-(3-cyano-2-thienyl)-1,5-dimethyl-pyrazole-3-carboxamide		-32.8246.295-15.61-19.23p=3.42, ap=-1.47
2
Life Chemicals:F2446-0151
eMolecules:24897535
Molport:MolPort-005-303-054
Ambinter:Amb1477053
Mcule:MCULE-9927629238
Mcule Make-on-demand:MCULE-9927629238
ADME
5312505881
 2-amino-5-(1H-imidazol-4-ylmethyl)-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxamide		-32.8221.22-19.4-20.03 p=4.79, ap=1.76
3
Enamine Building Blocks:EN300-87315
Ryan Scientific BB:047-68853
ADME
5438038868
 2-(3-amino-1,2,4-triazol-1-yl)-N-(m-tolylmethyl)acetamide		-32.8245.286-13.23-21.97p=5.31, ap=-2.99
4
UORSY BB Make-on-demand:BBV-32304225
Enamine BB Make on Demand:BBV-32304225
ADME
5532726043
 N-(4-pyridyl)-1H-indole-2-carboxamide		-32.7237.262-14.31-22.03p=5.74, ap=-2.17
2
UORSY Make-on-demand:PB185432348
UORSY BB Make-on-demand:BBV-25152388
Enamine BB Make on Demand:BBV-25152388
Enamine:Z185354880
eMolecules:49290520
ADME
5645238646
 1H-Benzimidazole-2-carboxamide, N,7-dimethyl-		-32.7189.218-16.07-18.9 p=3.33, ap=-1.14
1
Chemstep:10799
Sphinx Make-on-demand:BIM-27-2483
ADME
5776172180
 (2R)-2-(1H-benzimidazol-2-yl)-2-(methylamino)acetic		-32.7205.217-28.99-15.15p=12.26, ap=-0.86
3
NAADME
5848888736
 N-(1,3-benzodioxol-5-ylmethyl)-1H-triazole-4-carboxamide		-32.7246.226-18.86-18.32p=4.33, ap=0.12
3
Enamine BB Make on Demand:BBV-42980256
Otava (Virtual):5657662
ADME
5975913878
 N-(3,5-dimethylphenyl)-4H-1,2,4-triazole-3-carboxamide		-32.7216.244-17.09-15.91p=2.17, ap=-1.88
2
Enamine BB Make on Demand:BBV-42937016ADME
6088235034
 N-[(1R)-1-(3-fluoro-4-methyl-phenyl)ethyl]-1H-pyrazole-3-carboxamide		-32.5247.273-16.62-17.57 p=2.67, ap=-1.08
3
NAADME
6173760346
 4-fluoro-N-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide		-32.5244.229-14.83-22.23 p=6.34, ap=-1.87
2
NAADME
6276167454
 (3R)-3-[(1-hydroxybenzimidazol-2-yl)methyl]morpholine		-32.5234.279-26.29-15.37p=9.87, ap=-0.78
2
NAADME
6343519316
 (2R)-2-[(R)-(6-amino-1H-benzimidazol-2-yl)sulfinyl]propanenitrile		-32.5234.284-18.73-17.6p=3.93, ap=-0.17
2
UORSY BB Make-on-demand:BBV-33359577
Enamine BB Make on Demand:BBV-33359577
ADME
6412946727
 N-(1-methylpyrazol-3-yl)-1H-indole-2-carboxamide		-32.5240.266-11.99-21.88p=3.43, ap=-2.09
2
eMolecules:24103532
UORSY BB Make-on-demand:BBV-29348747
Mcule:MCULE-8609886893
Enamine:Z240290626
Enamine BB Make on Demand:BBV-29348747
Ambinter:Amb8251401
Mcule Make-on-demand:MCULE-8609886893
ADME
655730326
 2-(3,5-dimethylphenoxy)-N-(2H-1,2,4-triazol-3-yl)acetamide		-32.5246.27-18.24-16.64p=5.05, ap=-2.68
4
Innovapharm:STT-00246249
TimTec Make-on-Demand:ST50754503
Princeton BioMolecular Research:OSSK_422921
eMolecules:1859878
Molport:MolPort-002-047-689
UORSY BB Make-on-demand:BBV-36636886
ADME
6696896497
 2-(5-methyl-1H-pyrazol-3-yl)-4-[[(2S)-pyrrolidin-2-yl]methyl]thiazole		-32.4249.363-25.48-17.49 p=11.43, ap=-0.95
3
NAADME
6742196065
 2-[(R)-[(1R)-1-methylpropyl]sulfinyl]-3H-benzimidazol-5-amine		-32.4237.328-17.81-17.4 p=3.03, ap=-0.28
3
Enamine BB Make on Demand:BBV-41921577
Enamine BB Make on Demand:BBV-32796119
ADME
681144319
 [5-amino-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,2,4-triazol-3-yl]amine		-32.4231.223-13.15-20.65p=5.04, ap=-3.68
1
Asinex:BAS03277139
ChemBridge:6765380
eMolecules:1425463
Labotest:LT00032870
Molport:MolPort-001-990-337
Mcule Make-on-demand:MCULE-7369885972
Mcule:MCULE-7369885972
AKOS:AKOS000543233
ADME
695605231
 N-thiazol-2-yl-2H-1,2,4-triazole-3-carboxamide		-32.4 194.199-19.67-16.04p=4.27, ap=-1.01
2
Labotest:LT00012282
Ambinter:Amb9790717
Enamine BB Make on Demand:BBV-42936866
Mcule:MCULE-5805729392
Mcule Make-on-demand:MCULE-5805729392
ADME
7083376817
 2-(2-thienylmethylamino)-1,9-dihydropurin-6-one		-32.4247.283-13.03-22.6 p=5.09, ap=-1.89
3
NAADME
7147343387
 (1S,2S)-2-methyl-N-[5-(2-pyridyl)-4H-1,2,4-triazol-3-yl]cyclopropanecarboxamide		-32.4242.262-16.27-17.58 p=3.56, ap=-2.14
3
NAADME
72988330
 1H-benzimidazol-2-yl-(5-methyl-2-pyridyl)amine		-32.4224.267-13.01-19.88 p=3.34, ap=-2.86
2
NAADME
7357496477
 (3R)-3-(dimethylamino)-3-(2-fluorophenyl)propanoic		-32.3210.228-20.83-16.08p=7.72, ap=-3.12
4
Enamine BB Make on Demand:BBV-38848998
UORSY BB Make-on-demand:BBV-38848998
ADME
7449234170
 4-amino-N-(4-cyclopropylthiazol-2-yl)-1H-pyrrole-2-carboxamide		-32.2249.319-18.23-18.44p=4.29, ap=0.12
3
UORSY BB Make-on-demand:BBV-32914391
Enamine BB Make on Demand:BBV-32914391
ADME
7537561107
 1-(3-aminophenyl)-3-(1-methylpyrazol-3-yl)urea		-32.2231.259-15.23-21.19p=4.20, ap=-0.02
2
UORSY BB Make-on-demand:BBV-29401422
Enamine BB Make on Demand:BBV-29401422
ADME
7675912495
 N-(3-cyanophenyl)-4H-1,2,4-triazole-3-carboxamide		-32.2 213.2-18.75-16.1 p=3.79, ap=-1.18
2
Enamine BB Make on Demand:BBV-42936987ADME
7775553601
 N-(4H-1,2,4-triazol-3-yl)quinoline-4-carboxamide		-32.2239.238-17.55-17 p=3.89, ap=-1.56
2
UORSY BB Make-on-demand:BBV-44221176
Enamine BB Make on Demand:BBV-44221176
ADME
7874327150
 2-(3,4-difluorophenyl)-6-fluoro-3H-imidazo[4,5-b]pyridine		-32.1249.195-14.24-19.11p=3.65, ap=-2.47
1
NAADME
792539024
 RO 106-9920		-32.1245.267-16.99-18.88 p=5.09, ap=-1.37
2
ChemMol:97901023
Molport BB:MolPort-003-983-799
Active BioPharma:2159
Synchem UG and Co KG:bc403
ADME
8042196234
 2-[(R)-trifluoromethylsulfinyl]-3H-benzimidazol-5-amine		-32.1249.217-20.59-16.43p=4.18, ap=0.69
2
UORSY BB Make-on-demand:BBV-32796148
Enamine BB Make on Demand:BBV-32796148
ADME
8170165748
 6-chloro-N-(3-methyl-1H-pyrazol-5-yl)pyridine-2-carboxamide		-32.1236.662-15.52-18.29p=3.34, ap=-1.67
2
Enamine BB Make on Demand:BBV-37874751
UORSY BB Make-on-demand:BBV-37874751
ADME
827910634
 N-(2-furylmethyl)-1H-indole-2-carboxamide		-32.1 240.262-15.03-19.83p=4.52, ap=-1.80
3
Molport:MolPort-011-008-965
Vitas-M:STL028129
Ambinter:Amb9252855
UORSY Make-on-demand:PB55062585
UORSY BB Make-on-demand:BBV-25147083
eMolecules:31752413
Life Chemicals (Virtual):F5791-0857
Enamine BB Make on Demand:BBV-25147083
ADME
8320878000
 N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)tetrazole-1,5-diamine		-32.1 248.246-19.65-17.5 p=6.15, ap=-1.14
3
Scientific Exchange (make on demand):F-023927
AKOS (make-on-demand):AKOS002623477
Molport BB:MolPort-008-422-765
ADME
84433854
-32.1 231.255-16.66-16.64p=3.31, ap=-2.13
2
Ambinter:Amb6874022
Princeton BioMolecular Research:OSSL_187300
eMolecules:2096217
TimTec:ST50915471
UORSY BB Make-on-demand:BBV-37627989
Molport:MolPort-001-491-442
Mcule Make-on-demand:MCULE-2273380118
Enamine:Z27665050
ADME
8557515727
 (3R)-3-(dimethylamino)-3-(2-methoxyphenyl)propanoic		-32.1222.264-19.34-17.86 p=8.10, ap=-3.00
5
Enamine BB Make on Demand:BBV-38848884
UORSY BB Make-on-demand:BBV-38848884
ADME
8671790011
 6-Chloro-5-fluoro-2-(2-pyrazinyl)-1H-benzimidazole		-32.1248.648-12.86-19.62p=2.24, ap=-1.86
1
Apollo Scientific:PC10701
Ambinter:Amb16185881
Chembo Pharma:KB-99470
SynQuest Building Blocks:52942
ADME
8783367963
 1-[(1H-1,2,4-triazol-3-ylamino)methyl]naphthalen-2-ol		-32.1239.258-14.72-19.22p=3.09, ap=-1.25
3
NAADME
8840973979
 (1R,5S)-9-chloro-N-methyl-1-oxo-2,3,4,5-tetrahydrobenzo[b]thiepin-5-amine		-32.0 244.767-27.97-9.89p=6.52, ap=-0.75
1
UORSY BB Make-on-demand:BBV-32632730
Enamine BB Make on Demand:BBV-32632730
ADME
8950478543
 2-[(R)-(3-amino-4-pyridyl)sulfinyl]-N-isopropyl-acetamide		-32.0241.316-17.69-19.93p=5.72, ap=-0.16
4
UORSY BB Make-on-demand:BBV-33955606
Enamine BB Make on Demand:BBV-33955606
ADME
902766205
-32.0205.172-15.05-17.34p=2.49, ap=-2.13
2
Vitas-M:STK327820
eMolecules:30082720
Scientific Exchange (make on demand):X-062986
Molport:MolPort-003-003-599
Princeton BioMolecular Research:OSSL_049066
Ambinter:Amb6466500
eMolecules:6182731
UORSY BB Make-on-demand:BBV-36626422
ADME
9167514183
 5-fluoro-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1H-indole		-32.0216.219-14.25-19.07 p=3.66, ap=-2.37
1
Mcule:MCULE-3966142058
Ambinter:Amb17629649
Mcule Make-on-demand:MCULE-3966142058
ADME
9271261270
 2-(2,4-difluoroanilino)-5-fluoro-1H-pyrimidin-6-one		-32.0 240.164-15.36-18.44 p=4.19, ap=-2.41
2
ChemMol:44023463ADME
9382943553
 (3R)-3-amino-3-(2-methyl-7H-imidazo[1,2-a]imidazol-6-yl)propanoic		-32.0 208.221-29.21-17.29p=16.04, ap=-1.56
3
NAADME
9476167455
 (3S)-3-[(1-hydroxybenzimidazol-2-yl)methyl]morpholine		-32.0234.279-28.41-15.43p=12.87, ap=-1.04
2
NAADME
9516385281
 2,4-difluoro-N-(4H-1,2,4-triazol-3-yl)benzamide		-32223.162-16.43-17.15p=4.21, ap=-2.63
2
TimTec:ST51042897
UORSY Make-on-demand:PB86505216
UORSY BB Make-on-demand:BBV-36626618
Ambinter:Amb7899443
Enamine BB Make on Demand:BBV-36626618
Otava (Virtual):5620321
ADME
9677295197
 (3R)-3-amino-3-methyl-4-(2-pyridyl)butanoic		-32194.234-24.36-14.21 p=8.16, ap=-1.59
4
NAADME
9740974902
 (1R,5S)-N,7-dimethyl-1-oxo-2,3,4,5-tetrahydrobenzo[b]thiepin-5-amine		-31.9224.349-30.24-10.59p=9.79, ap=-0.93
1
UORSY BB Make-on-demand:BBV-32632842
Enamine BB Make on Demand:BBV-32632842
ADME
9840975904
 (1R,5S)-7-isopropyl-1-oxo-2,3,4,5-tetrahydrobenzo[b]thiepin-5-amine		-31.9238.376-30.94-11.27p=10.75, ap=-0.51
1
UORSY BB Make-on-demand:BBV-32632966
Enamine BB Make on Demand:BBV-32632966
ADME
9983334014
 (2S)-2-amino-3-(2,5-dimethylpyrrolo[3,2-d]pyrimidin-7-yl)propanoic		-31.9 234.259-24.25-15.03p=8.90, ap=-1.59
3
NAADME
10074330435
 2-(3,4-difluorophenyl)-3H-imidazo[4,5-b]pyridin-6-amine		-31.9246.22-14.59-19.16 p=3.99, ap=-2.21
1
NAADME
10197136353
 N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2-methyl-pyrazole-3-carboxamide		-31.9246.274-15.18-19.15p=3.79, ap=-1.40
3
Enamine:Z1677959416
eMolecules:49351443
Molport:MolPort-029-935-822
ADME
10276170490
 (2R)-2-(methylamino)-3-(1-vinylimidazol-2-yl)propanoic		-31.9 195.222-25.44-13.02p=8.69, ap=-2.17
5
NAADME
10334139605
 phenyl N-(2,4-difluorophenyl)carbamate		-31.9248.208-10.5-20.55p=1.48, ap=-2.35
3
Enamine BB Make on Demand:BBV-39251528
UORSY BB Make-on-demand:BBV-39251528
Chembo Pharma:KB-104777
ADME
10463202524
 1-(2-amino-5-fluoro-phenyl)-3-phenyl-urea		-31.9245.257-15.73-20.86 p=5.24, ap=-0.55
2
Enamine BB Make on Demand:BBV-44237621ADME
10536878788
 (3R)-3-[[(1R)-indan-1-yl]amino]butanoic		-31.8219.284-21.04-14.24p=5.99, ap=-2.59
4
UORSY BB Make-on-demand:BBV-27083024
Enamine BB Make on Demand:BBV-27083024
ADME
10649449849
 4-fluoro-N-(1H-pyrazol-3-yl)-1H-indole-2-carboxamide		-31.8244.229-13.81-20.83p=4.52, ap=-1.72
2
NAADME
10717354631
 9H-Purine-8-methanol, 2-amino-Alpha-phenyl-		-31.8241.254-15.48-19.06 p=3.94, ap=-1.23
2
Apexmol Building Blocks:AM20040495ADME
10848889583
 N-(8-quinolyl)-1H-triazole-4-carboxamide		-31.8239.238-14.85-18.05 p=2.10, ap=-1.03
2
Enamine BB Make on Demand:BBV-42980538
Otava (Virtual):5657647
ADME
10937357869
 (2R)-2-(dimethylamino)-2-(2-pyridyl)propanoic		-31.7193.226-21.11-15.54 p=7.56, ap=-2.68
3
UORSY BB Make-on-demand:BBV-27278216
Enamine BB Make on Demand:BBV-27278216
ADME
11036394407
 N-(3-cyano-2-thienyl)-5-methyl-furan-2-carboxamide		-31.7232.264-15.14-18.07p=3.04, ap=-1.59
2
eMolecules:29576714
Mcule Make-on-demand:MCULE-9717863754
Enamine:Z29080905
Ambinter:Amb10667441
Mcule:MCULE-9717863754
ADME
11137564970
 ethyl		-31.7246.266-14.31-18.42 p=2.69, ap=-1.73
5
Molport:MolPort-012-968-009
eMolecules:36638843
Enamine BB Make on Demand:BBV-29405567
Mcule Make-on-demand:MCULE-5480855503
Ambinter:Amb11406293
ADME
11238006998
 N-(1H-pyrazol-4-ylmethyl)-1H-indole-2-carboxamide		-31.7240.266-13.29 -20.33p=3.46, ap=-1.59
3
Enamine BB Make on Demand:BBV-32281003
Otava (Virtual):2942882
ADME
11396403146
 N-(4H-1,2,4-triazol-3-yl)adamantane-1-carboxamide		-31.7246.314-13.69-17.56 p=2.16, ap=-2.67
2
eMolecules:34793229
UORSY Make-on-demand:PB56903373
Vitas-M:STL193466
ADME
11476170241
 (2S)-2-(methylamino)-3-oxazolo[4,5-b]pyridin-2-yl-propanoic		-31.7221.216-25.86-14.3p=8.78, ap=-0.36
4
NAADME
11523143278
 2-(2-chlorophenyl)-N-(4H-1,2,4-triazol-3-yl)acetamide		-31.7236.662-14.09-17.96 p=2.96, ap=-2.64
3
UORSY Make-on-demand:PB86505479
UORSY BB Make-on-demand:BBV-36626644
Enamine BB Make on Demand:BBV-36626644
ADME
11665467308
 2-benzhydryl-2H-imidazole		-31.7234.302-10.09-20.39p=2.11, ap=-3.32
3
Ambinter:Amb17650926
Molport:MolPort-016-621-141
eMolecules:32421456
ADME
11758688165
 N-[(3-fluorophenyl)methyl]-5-methyl-pyrazine-2-carboxamide		-31.6245.257-14.58-17.48p=1.97, ap=-1.59
3
AKOS (make-on-demand):AKOS008607751
UORSY Make-on-demand:PB337913078
ADME
11886329931
 3-ethyl-5-[(S)-[(1R)-1-phenylethyl]sulfinyl]-4H-1,2,4-triazole		-31.6249.339-18.58-16.79p=5.43, ap=-1.74
4
NAADME
11977368241
 (3R)-3-amino-3-(2-methyl-1,3-benzoxazol-5-yl)butanoic		-31.6234.255-26.38-18.48p=13.35, ap=-0.15
3
NAADME
12097256710
 5-methyl-N-(4H-1,2,4-triazol-3-yl)-1H-indazole-3-carboxamide		-31.6242.242-18.52-15.33p=3.11, ap=-0.91
2
NAADME
1216942699
 N-(3-chloro-2-methyl-phenyl)-5-methyl-2H-pyrazole-3-carboxamide		-31.6249.701-14.54-18.18p=2.49, ap=-1.39
2
Otava (Virtual):4467297ADME
12240483424
 2-[(1-aminocyclopentanecarbonyl)-isopropyl-amino]acetic		-31.6228.292-33.94-8.51p=11.80, ap=-0.95
4
UORSY BB Make-on-demand:BBV-32511060
Enamine BB Make on Demand:BBV-32511060
ADME
12322538237
 N-(2-methoxy-5-methyl-phenyl)-2-methyl-oxazole-4-carboxamide		-31.5 246.266-13.96-18.43p=2.01, ap=-1.20
3
ChemBridge:9244951
eMolecules:32362274
Mcule:MCULE-6567623591
Mcule Make-on-demand:MCULE-6567623591
Ambinter:Amb8483370
ADME
1245670148
 N-(1H-1,2,4-triazol-3-yl)cyclohexanecarboxamide		-31.5194.238-15.96-15.19p=1.99, ap=-2.41
2
Ambinter:Amb9821572
Labotest:LT02090151
TimTec:ST51031272
UORSY BB Make-on-demand:BBV-36626605
UORSY:PB86505162
Enamine BB Make on Demand:BBV-36626605
Mcule:MCULE-8343610973
Mcule Make-on-demand:MCULE-8343610973
ADME
12573667317
 2-(4-Chloro-phenyl)-6-oxo-1,6-dihydro-pyrimidine-5-carboxylic acid amide		-31.5248.649-18.4-21.18p=7.14, ap=0.87
2
Otava (Virtual):8885550
PBMR Labs Building Blocks:RBK_032039
ADME
1266736873
 N-(2-methoxy-5-methyl-phenyl)-5-methyl-2H-pyrazole-3-carboxamide		-31.5245.282-14.98-17.5 p=2.22, ap=-1.29
3
Molport:MolPort-009-090-035
eMolecules:32057830
Enamine:Z741233434
Mcule:MCULE-8676090773
Mcule Make-on-demand:MCULE-8676090773
Ambinter:Amb11179837
Otava (Virtual):4467312
ADME
12749531820
 N-[(1R)-1-(3-fluorophenyl)ethyl]imidazole-1-carboxamide		-31.5233.246-14.64-18.09p=3.64, ap=-2.48
2
UORSY BB Make-on-demand:BBV-32928777
Enamine BB Make on Demand:BBV-44186844
Enamine BB Make on Demand:BBV-32928777
ADME
12865321927
 1-(4-methylthiazol-2-yl)-3-(2-thienyl)urea		-31.5239.325-16.92-16.7p=3.11, ap=-1.05
2
eMolecules:37123748
Molport:MolPort-010-971-040
Mcule Make-on-demand:MCULE-9790006674
Mcule:MCULE-9790006674
Otava (Virtual):4503542
ADME
12945783878
 N-(3-furylmethyl)-1H-indole-2-carboxamide		-31.5240.262-12.76-20.41p=3.42, ap=-1.78
3
Mcule Make-on-demand:MCULE-6107429945ADME
13072236704
 3-[(5-isobutyl-1H-1,2,4-triazol-3-yl)methoxy]aniline		-31.5246.314-13.22-20.63p=2.81, ap=-0.49
5
Innovapharm BB Make on Demand:BBV-00072306ADME
13132988059
 N-(3-cyano-2-thienyl)pyridine-3-carboxamide		-31.5229.264-12.81-20.66p=3.53, ap=-1.55
2
eMolecules:24058780
Mcule Make-on-demand:MCULE-3686205293
Enamine:Z29082134
Ambinter:Amb8267649
Mcule:MCULE-3686205293
ADME
13235247731
 N-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide		-31.5226.239-13.12-21.4p=4.80, ap=-1.78
2
Enamine BB Make on Demand:BBV-25158330
UORSY BB Make-on-demand:BBV-25158330
Otava (Virtual):3112549
ADME
13383371182
 2-(pyrimidin-5-ylmethylamino)-1,9-dihydropurin-6-one		-31.4243.23-14.19-22.49p=6.70, ap=-1.50
3
NAADME
13476167457
 (3S)-3-[(1-hydroxyimidazol-2-yl)methyl]morpholine		-31.4183.211-28.45-11.17p=8.71, ap=-0.51
2
NAADME
13543191550
ethyl		-31.4 235.243-15.84-16.57: p=2.10, ap=-1.11
4
Aldrich CPR:T138061
ALDRICH
TimTec:ST50540613
ADME
136386455
 BRD-K89235298-001-01-0		-31.4201.213 -18.01 -15.34p=4.45, ap=-2.51
2
Asinex:BAS06196487
Specs:AQ-086/41979224
Chemical Block:A3387/0143690
eMolecules:1478145
Vitas-M:STK327260
Chemstep:10378
Molport:MolPort-002-725-002
Vitas-M:STK682854
ADME
13749937240
 2-(pyrimidin-2-ylamino)quinazolin-4-ol		-31.3 239.238-16.86-21.17 p=9.59, ap=-2.93
2
Pharmeks:PHAR209546
AKOS:AKOS005571545
Molport:MolPort-005-972-860
eMolecules:30387538
Vitas-M:STK638049
Ambinter:Amb7080662
Mcule:MCULE-9730651909
Mcule Make-on-demand:MCULE-9730651909
ADME
13872376489
 (6-Pyrrolidin-2-yl-pyridin-2-yl)-thiazol-2-yl-amine		-31.3247.347-24.86-17.24p=12.86, ap=-2.14
3
Asinex:BDE26705652
Ambinter:Amb20194141
ADME
13951072547
 6-chloro-N-(3-pyridyl)pyridine-2-carboxamide		-31.3233.658-15.13-17.73p=3.00, ap=-1.47
2
UORSY BB Make-on-demand:BBV-34086791
Enamine BB Make on Demand:BBV-34086791
ADME
14026462377
 (R)-(5-fluoro-1H-benzimidazol-2-yl)-phenyl-methanol		-31.3243.261-14.03-18.07p=2.21, ap=-1.42
2
Innovapharm BB Make on Demand:BBV-00031401
Molport BB:MolPort-007-984-636
UORSY BB Make-on-demand:BBV-39378213
Enamine BB Make on Demand:BBV-39378213
Ambinter:Amb7092808
ADME
14183367011
 N-[(2-amino-3-pyridyl)methyl]-1H-indazol-6-amine		-31.3239.282-9.2-24.07 p=3.16, ap=-1.20
3
NAADME
142137613
 1-(5-methylisoxazol-3-yl)-3-(m-tolyl)urea		-31.2231.255-14.46-18.42p=3.32, ap=-1.73
2
Asinex:BAS09079842
ChemBridge:7739898
eMolecules:1511837
Mcule Make-on-demand:MCULE-5529271377
Molport:MolPort-002-014-636
Enamine:Z103383124
Mcule:MCULE-5529271377
AKOS:AKOS000532767
ADME
14325269241
 5-fluoro-N-(2-methylamino-2-oxo-ethyl)-1H-indole-2-carboxamide		-31.2249.245-14.5-19.02 p=3.39, ap=-1.16
3
UORSY:PB300664704
Mcule:MCULE-2092233179
Mcule Make-on-demand:MCULE-2092233179
ADME
14447516133
 N-phenylimidazo[1,2-a]pyrimidine-2-carboxamide		-31.2 238.25-12.23-19.61 p=3.15, ap=-2.60
2
NAADME
14571779713
 (1S,3R)-3-ethyl-2-oxo-N-phenyl-cyclohexanecarboxamide		-31.2245.322-12.29-19.43p=1.82, ap=-1.40
3
NAADME
14619271521
 2-amino-3-methyl-N-(4-methylthiazol-2-yl)benzamide		-31.2247.323-12.01-20.16p=2.53, ap=-1.64
2
UORSY BB Make-on-demand:BBV-041578
Enamine BB Make on Demand:BBV-041578
ADME
14748723483
 2-amino-3-methyl-N-(4-methylthiazol-2-yl)benzamide		-31.2 250.233-15.68-17.13 p=2.16, ap=-0.62
4
NAADME
14832674211
 (3S)-3-methyl-1-oxo-N-propyl-isochromane-3-carboxamide		-31.2247.294-11.59-20.7 p=3.41, ap=-2.38
3
Mcule Make-on-demand:MCULE-7873951192ADME
14935148493
-31.2 231.255-16.51-17.07p=3.32, ap=-0.99
3
UORSY BB Make-on-demand:BBV-25152174
Enamine BB Make on Demand:BBV-25152174
ADME
1505968038
 2-(2,4-dimethylphenoxy)-N-(2H-1,2,4-triazol-3-yl)acetamide		-31.2246.27-16.72-17.19 p=5.06, ap=-2.39
4
UORSY Make-on-demand:PB57367584
Innovapharm Make-on-Demand:VT-00356163
Molport:MolPort-011-018-761
UORSY BB Make-on-demand:BBV-36631460
ADME
1519625356
 N-(3-cyano-2-thienyl)isoxazole-5-carboxamide		-31.2219.225-15.92-17.48p=3.64, ap=-1.46
2
eMolecules:24899327
Life Chemicals:F2833-0202
Ambinter:Amb5473657
Molport:MolPort-003-436-290
Mcule:MCULE-9496616079
Mcule Make-on-demand:MCULE-9496616079
ADME
15248890025
 N-(1-naphthyl)-1H-triazole-4-carboxamide		-31.2238.25-14.68-17.24p=1.98, ap=-1.27
2
Enamine BB Make on Demand:BBV-42981502
Otava (Virtual):5657645
ADME
15340974226
 (1R,5S)-N-ethyl-7-fluoro-1-oxo-2,3,4,5-tetrahydrobenzo[b]thiepin-5-amine		-31.2242.339-29.25-11.43p=10.55, ap=-1.08
2
UORSY BB Make-on-demand:BBV-32632760
Enamine BB Make on Demand:BBV-32632760
ADME
1543459406
 N-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclopentanecarboxamide		-31.1237.288-16.3-16.8 p=4.21, ap=-2.30
2
eMolecules:3347473
Molport:MolPort-004-072-610
Enamine:Z30473466
Ambinter:Amb35058
Mcule:MCULE-3494078495
Mcule Make-on-demand:MCULE-3494078495
ADME
15596880829
 (1S,4R,5R,6S)-4-(2-methoxy-5-methyl-phenyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic		-31.1247.294-25.89-12.56p=8.84, ap=-1.58
3
NAADME
15682377009
 (2R,4R)-2-(1-methylpyrrol-2-yl)piperidine-4-carboxylic		-31.1 208.261-24.64-15.83 p=11.40, ap=-2.11
2
NAADME
15776137306
 (2R)-2-(aminomethyl)-3-(6-amino-3-pyridyl)propanoic		-31.1196.23-28.5-12.54p=10.25, ap=-0.38
4
NAADME
1584385942
 4-(1H-Benzoimidazol-2-yl)-2-methyl-phenylamine		-31.1223.279-12.59-20.77 p=3.95, ap=-1.73
1
Asinex:BAS11775274
Matrix Scientific:019431
Vitas-M BB:BBL002633
ChemBridge:7980780
eMolecules:1532452
Asinex Building Blocks:BAS11775274
Vitas-M:STK344378
Scientific Exchange:M-845862
ADME
1597737841
 N-(6-thia-1,3,4,8-tetrazabicyclo[3.3.0]octa-2,4,7-trien-7-yl)pyridine-4-carboxamide		-31.1246.255-14.62-19.89p=4.98, ap=-1.64
2
eMolecules:11663401
Molport:MolPort-004-134-946
Enamine:Z30473353
Mcule:MCULE-6127163075
Mcule Make-on-demand:MCULE-6127163075
ADME
16040973521
 (1R,5S)-N-methyl-1-oxo-2,3,4,5-tetrahydrobenzo[b]thiepin-5-amine		-31.1210.322-30.11-9.89 p=9.61, ap=-0.75
1
UORSY BB Make-on-demand:BBV-32632674
Enamine BB Make on Demand:BBV-32632674
ADME
16149822809
 tert-butyl		-31.1233.271-15.05-18.03p=3.54, ap=-1.60
4
NAADME
16289290619
 1-[(1R)-1-(2-furyl)ethyl]-3-(4-methyl-3-pyridyl)urea		-31.1246.29-15.06-18.72p=3.97, ap=-1.33
3
NAADME
16316545030
 N-(1-naphthyl)pyrazole-1-carboxamide		-31.1237.262-12.49-18.45 p=2.09, ap=-2.29
1
Labotest:LT03015831ADME
16418128341
 4-chloro-N-(4H-1,2,4-triazol-3-yl)benzamide		-31.1222.635-15.51-15.68 p=2.44, ap=-2.40
2
Scientific Exchange (make on demand):POD_09/0328
UORSY Make-on-demand:PB57147365
eMolecules:1853953
Innovapharm:STT-00210168
Vitas-M:STK749389
Labotest:LT00672459
Chemical Block:A0587/0027117
Life Chemicals:F3096-0181
ADME
16542194216
 2-[(R)-(2-aminophenyl)sulfinyl]-N-cyclopropyl-acetamide		-31.1 238.312-17.67-18.62 p=5.85, ap=-0.71
4
Enamine BB Make on Demand:BBV-43860561ADME
16652885748
 1-[(2S)-2-amino-2-phenyl-ethyl]-3-methyl-imidazolidin-2-one		-31.1 219.288-27.2-16.34p=14.29, ap=-1.89
3
UORSY BB Make-on-demand:BBV-34314116
Enamine BB Make on Demand:BBV-34314116
ADME
16774330300
 2-(3-chlorophenyl)-3H-imidazo[4,5-b]pyridin-6-amine		-31.1244.685-14.69-18.22p=3.95, ap=-2.18
1
NAADME
16825306508
 N-(1-methylpyrazol-4-yl)-1H-indole-2-carboxamide		-31.1240.266-15.7-18.52p=4.91, ap=-1.81
2
Enamine BB Make on Demand:BBV-25157835
eMolecules:25671979
UORSY BB Make-on-demand:BBV-25157835
Mcule:MCULE-6362442435
Enamine:Z396114936
Otava (Virtual):2942847
Ambinter:Amb9194750
Mcule Make-on-demand:MCULE-6362442435
ADME
16983377469
 2-[(2R,5R)-5-ethyl-2-methyl-piperazin-1-yl]benzamide		-31.1248.35-26.54-14.56p=11.30, ap=-1.32
3
NAADME
170384465
DNC013953		-31.0 236.274-12.62-19.88 p=3.69, ap=-2.27
2
Specs:AP-122/41076197
Molport:MolPort-001-788-903
eMolecules:984978
Ambinter:Amb2676468
UORSY Make-on-demand:PB27859543
AKOS (make-on-demand):AKOS008463534
UORSY BB Make-on-demand:BBV-25145622
Mcule:MCULE-4430477478
ADME
17189765108
 1-(3,5-difluorophenyl)-3-(1H-pyrazol-3-yl)urea		-31.0238.197-16.16-16.37p=2.71, ap=-1.27
2
Molport:MolPort-027-666-425
Enamine:Z1438459762
Mcule:MCULE-5307762632
eMolecules:45676399
Mcule Make-on-demand:MCULE-5307762632
ADME
17211990302
2-fluorobenzyl 1H-1,2,4-triazol-3-yl sulfide		-31.0209.249-12.26-18.99 p=3.03, ap=-2.86
3
Specs:AG-205/37160009
Scientific Exchange (make on demand):Z-099724
Ambinter:Amb10248735
Molport:MolPort-008-822-341
Molport:MolPort-002-703-559
Otava:7016000440
eMolecules:6763371
Mcule:MCULE-8872565564
ADME
17376689780
 2-[(2S,6R)-6-methylBLAH-2-yl]acetic		-31.0245.282-27.35-12.42p=9.88, ap=-1.18
2
NAADME
17434519267
 (2R)-3,3,3-trifluoro-2-hydroxy-N-phenyl-propanamide		-31.0219.162-17.48-15.77 p=3.05, ap=-0.86
3
MolMall (formerly Molecular Diversity Preservation International):101465ADME
17513682412
 2-([1,2,4]triazolo[4,3-d][1,3,4]thiadiazol-6-yl)-1H-indole		-31.0241.279-10.76-20.42 p=3.04, ap=-2.91
1
Scientific Exchange:F-364070
eMolecules:13597614
IBScreen:STOCK6S-43756
Molport:MolPort-005-916-962
Vitas-M:STK946288
Princeton BioMolecular Research:OSSL_465633
Mcule:MCULE-2151967942
Mcule Make-on-demand:MCULE-2151967942
ADME
17649319213
 N-[(1R)-4-fluoroindan-1-yl]-1H-triazole-4-carboxamide		-31.0245.237-15.05-19.19p=4.38, ap=-1.20
2
NAADME
17763201776
 N-(2-amino-5-fluoro-phenyl)-6-oxo-1H-pyrazine-3-carboxamide		-31.0248.217-16.33-19.04 p=4.37, ap=-0.04
2
UORSY BB Make-on-demand:BBV-37171612ADME
1782642309
 N-(3-cyanothiophen-2-yl)furan-2-carboxamide		-31.0218.237-13.77-18.47p=2.86, ap=-1.66
2
Enamine BB Make on Demand:BBV-39250740
UORSY BB Make-on-demand:BBV-39250740
Chembo Pharma:KB-101604
ADME
17919931049
 (S)-(1-methylbenzimidazol-2-yl)-pyrazin-2-yl-methanamine		-31.0239.282-23.43-17.32p=9.64, ap=0.07
2
NAADME
18072271197
 5-cyclopropyl-N-(thiazol-2-ylmethyl)-1H-pyrazole-3-carboxamide		-31.0 248.311-15.86-17.77p=3.31, ap=-0.71
4
Molport:MolPort-023-136-491
eMolecules:42864978
Ambinter:Amb20628596
Enamine:Z653714344
Mcule:MCULE-2685497445
Mcule Make-on-demand:MCULE-2685497445
ADME
18133426517
 (6R)-4-methylsulfonyl-4,8-diazaspiro[5.5]undecane		-31.0233.357-34.3-10.38p=14.11, ap=-0.45
1
NAADME
18235165147
 methyl		-31.0247.254-15.06-18.19 p=4.23, ap=-2.00
4
UORSY BB Make-on-demand:BBV-27025268
Enamine BB Make on Demand:BBV-27025268
ADME
18383371334
 3-[(1,3-benzodioxol-5-ylamino)methyl]pyridin-2-amine		-31.0244.274-10.86-22.25p=3.23, ap=-1.14
3
NAADME
18496894153
 8-methoxy-2-[[(2S)-pyrrolidin-2-yl]methyl]quinoline		-31.0243.33-26.36-16.13p=13.28, ap=-1.80
3
NAADME
18532544540
 2-[(7-methoxyquinazolin-4-yl)-methyl-amino]acetic		-31246.246-17.21-18.47p=7.03, ap=-2.36
4
NAADME
18671257662
 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-fluoro-3H-imidazo[4,5-b]pyridine		-31236.226-14.73-17.84p=3.00, ap=-1.45
1
ChemMol:42301056ADME
18777936348
 N-phenyl-4H-pyrrolo[3,2-d]thiazole-5-carboxamide		-31243.291-12.6-20.6p=3.78, ap=-1.57
2
Wisdom Chemicals:1X1271-1XX-42XXADME
18817354630
 9H-Purine-8-methanol, 2-amino-Alpha-phenyl-		-30.9 241.254-13.98-18.67 p=3.83, ap=-2.16
2
Apexmol Building Blocks:AM20040495ADME
18969569609
 1-ethyl-3-[[1-(2-methoxyphenyl)cyclopropyl]methyl]urea		-30.9 248.326-12.59-20.71p=3.43, ap=-1.12
5
Molport:MolPort-020-134-939
eMolecules:36294209
Enamine:Z979683732
Mcule Make-on-demand:MCULE-3714549071
Mcule:MCULE-3714549071
ADME
19013667547
N-(3-cyano-2-thienyl)-1-methyl-pyrazole-3-carboxamide		-30.9232.268-13.41-18.97p=3.05, ap=-1.65
2
eMolecules:24907323
Life Chemicals:F5094-0301
Ambinter:Amb7387219
Molport:MolPort-005-304-095
Mcule:MCULE-7142313816
Mcule Make-on-demand:MCULE-7142313816
ADME
19143519314
 (2S)-2-[(R)-(6-amino-1H-benzimidazol-2-yl)sulfinyl]propanenitrile		-30.9234.284-16.73-18.58 p=4.56, ap=-0.23
2
UORSY BB Make-on-demand:BBV-33359577
Enamine BB Make on Demand:BBV-33359577
ADME
19283282261
 (5S,6S)-10-azaspiro[5.5]undecane-5-carboxylic		-30.9197.278-24.58-9.52 p=4.28, ap=-1.17
1
NAADME
19374330276
 2-(phenoxymethyl)-3H-imidazo[4,5-b]pyridin-6-amine		-30.9240.266-14.57-20.84p=4.93, ap=-0.49
3
NAADME
19495442571
 2-(5-methyl-2-pyridyl)-1H-benzimidazole-5-carbonitrile		-30.9234.262-13.94-17.81p=3.08, ap=-2.31
1
Molport:MolPort-027-923-804
Enamine:Z1527344039
eMolecules:48290466
ADME
19596231931
 N-(1H-1,2,4-triazol-3-yl)-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxamide		-30.9246.274-15.75-17.31 p=3.39, ap=-1.30
2
eMolecules:49248805
IBScreen:STOCK7S-47186
ADME
19663215929
 3-(5-chloro-1H-benzimidazol-2-yl)pyrazin-2-amine		-30.9245.673-13.88-20.23p=3.64, ap=-0.49
1
UORSY BB Make-on-demand:BBV-37178295ADME
19754438204
 2-(phenoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine		-30.9242.302-18.79-18.05p=8.34, ap=-2.45
3
UORSY BB Make-on-demand:BBV-34677086
Enamine BB Make on Demand:BBV-34677086
ADME
19840835016
 N-(2,2-dimethoxyethyl)-1H-indole-2-carboxamide		-30.9248.282-13.79-18.8 p=2.99, ap=-1.34
5
Molport:MolPort-014-579-717
Vitas-M:STL112031
Vitas-M BB:BBL007113
UORSY BB Make-on-demand:BBV-32601688
eMolecules:36025947
Molport BB:MolPort-014-579-717
Mcule:MCULE-9081101282
Enamine BB Make on Demand:BBV-32601688
ADME
1993094666
-30.9241.319-11.76-20.74p=3.79, ap=-2.22
3
Ambinter:Amb6372350
Princeton BioMolecular Research:OSSL_294415
IBScreen:STOCK3S-14735
Scientific Exchange:Z-008022
eMolecules:1680661
Molport:MolPort-001-018-236
Vitas-M:STL356787
Mcule:MCULE-1846410900
ADME
2004999788
 N-[[2-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-amine		-30.9242.204-13.61-17.69p=3.20, ap=-2.81
4
Scientific Exchange:F-023769
ChemBridge:9076061
Vitas-M:STK293546
Princeton BioMolecular Research:OSSL_010553
eMolecules:2556890
Ambinter:Amb6459496
Aldrich CPR:CDS011920
ALDRICH
Sigma Aldrich (Building Blocks):CDS011920
ALDRICH
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