CFam Chemical Families Database
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You are searching for "CFAMM00320108" in compound.

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CFAM Mol ID CFAMM00320108
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 CHEMBL354121 External Source CHEMBL
PubChem CID 14523753 Functional Category Bioactive
Molecule Name 2-[[4-[(4-oxo-1H-quinazolin-6-yl)methoxy]benzoyl]amino]pentanedioic acid
IUPAC Name 2-[[4-[(4-oxo-1H-quinazolin-6-yl)methoxy]benzoyl]amino]pentanedioic acid
Synonyms
InChi InChI=1S/C21H19N3O7/c25-18(26)8-7-17(21(29)30)24-19(27)13-2-4-14(5-3-13)31-10-12-1-6-16-15(9-12)20(28)23-11-22-16/h1-6,9,11,17H,7-8,10H2,(H,24,27)(H,25,26)(H,29,30)(H,22,23,28)
InChiKey SBHZEAREFBGFNL-UHFFFAOYSA-N
Formula C21H19N3O7 Molecular Weight 425.39
Cross Link CHEMBL354121
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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