CFam Chemical Families Database
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You are searching for "CFAMM00320100" in compound.

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CFAM Mol ID CFAMM00320100
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 CHEMBL162297 External Source CHEMBL
PubChem CID 10393148 Functional Category Bioactive
Molecule Name 4-[[2-(morpholin-4-ylmethyl)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]-N-[(3-nitrophenyl)methyl]benzamide
IUPAC Name 4-[[2-(morpholin-4-ylmethyl)-4-oxo-1H-quinazolin-6-yl]methyl-prop-2-ynylamino]-N-[(3-nitrophenyl)methyl]benzamide
Synonyms CHEBI:367718
InChi InChI=1S/C31H30N6O5/c1-2-12-36(25-9-7-24(8-10-25)30(38)32-19-22-4-3-5-26(17-22)37(40)41)20-23-6-11-28-27(18-23)31(39)34-29(33-28)21-35-13-15-42-16-14-35/h1,3-11,17-18H,12-16,19-21H2,(H,32,38)(H,33,34,39)
InChiKey JBNHEQDMWYFYLD-UHFFFAOYSA-N
Formula C31H30N6O5 Molecular Weight 566.61
Cross Link CHEMBL162297
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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