CFam Chemical Families Database
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You are searching for "CFAMM00320138" in compound.

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CFAM Mol ID CFAMM00320138
Family CFFBM1153 Thymidylate synthase inhibitor (2R)-2-[[(4S)-4-carboxy-4-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid family
Superfamily CFSBM78 Thymidylate synthase Binder Superfamily
Class CFCCD440 Class 1253
External ID CHEMBL304407 External Source CHEMBL
PubChem CID 14650018 Functional Category Bioactive
Molecule Name 2-amino-6-[[N-prop-2-ynyl-4-(2,2,2-trifluoroacetyl)anilino]methyl]-1H-quinazolin-4-one
IUPAC Name 2-amino-6-[[N-prop-2-ynyl-4-(2,2,2-trifluoroacetyl)anilino]methyl]-1H-quinazolin-4-one
Synonyms CHEBI:198399
InChi InChI=1S/C20H15F3N4O2/c1-2-9-27(14-6-4-13(5-7-14)17(28)20(21,22)23)11-12-3-8-16-15(10-12)18(29)26-19(24)25-16/h1,3-8,10H,9,11H2,(H3,24,25,26,29)
InChiKey UQBNPHYDTWRKSA-UHFFFAOYSA-N
Formula C20H15F3N4O2 Molecular Weight 400.35
Cross Link CHEMBL304407
Structure

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).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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