CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00347001" in compound.

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CFAM Mol ID CFAMM00347001
Family CFFBM3478 Dihydrofolate reductase and Thymidylate synthase inhibitor 2-[[4-[[(2,4-diaminoquinazolin-6-yl)-prop-2-enylamino]methyl]benzoyl]amino]pentanedioic acid family
Superfamily CFSCD540 BIBT986 Superfamily
Class CFCAD716 Class 716
External ID CHEMBL369718 External Source CHEMBL
PubChem CID 14888532 Functional Category Bioactive
Molecule Name 2-[[4-[ethyl-[(4-sulfanylidene-1H-quinazolin-6-yl)methyl]amino]benzoyl]amino]pentanedioic acid
IUPAC Name 2-[[4-[ethyl-[(4-sulfanylidene-1H-quinazolin-6-yl)methyl]amino]benzoyl]amino]pentanedioic acid
Synonyms CHEBI:394170
InChi InChI=1S/C23H24N4O5S/c1-2-27(12-14-3-8-18-17(11-14)22(33)25-13-24-18)16-6-4-15(5-7-16)21(30)26-19(23(31)32)9-10-20(28)29/h3-8,11,13,19H,2,9-10,12H2,1H3,(H,26,30)(H,28,29)(H,31,32)(H,24,25,33)
Formula C23H24N4O5S Molecular Weight 468.53
Cross Link CHEMBL369718

Statistics of CFAM Database

CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.

How to cite our database

C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).

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National University of Singapore, Singapore

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