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Compound IDNVIC0089
Compound Structure
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InhibitorTetrahydrofolic acid
PubChem ID 135444742
Drug Bank IDDB00116
ChemSpider ID 82572
SMILESC1C(NC2=C(N1)N=C(NC2=O)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
Molecular Weight (in g/mol)445.429
TargetAldehyde dehydrogenase 1 family, member l2
Assay Type
Assay Description
Assay Source
Cell Type
OutcomeApproved
IC50 (in nM)
EC50 (in nM)
H-bond Acceptor12
H-bond Donor8
No. of Rotatable Bond Count10
XLogP-2.7
PSA207.27
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5686741/
PubMed ID [Source Literature] 28904190
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