CFam Chemical Families Database
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You are searching for "CFAMM00221534" in compound.

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CFAM Mol ID CFAMM00221534
Family CFFID897 Thymidylate synthase Inhibitor Sp-876 Family
Superfamily CFSID734 Thymidylate synthase Inhibitor Sp-876 Superfamily
Class CFCID516 Class 1866
External ID CHEMBL152406 External Source CHEMBL
PubChem CID 44368404 Functional Category Bioactive
Molecule Name AGN-PC-075SXI
IUPAC Name 3-hydroxy-2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]propanoic acid
Synonyms CHEBI:354571;3-hydroxy-2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]propanoic acid
InChi InChI=1S/C12H15N3O7S/c13-23(21,22)8-3-1-7(2-4-8)11(18)14-5-10(17)15-9(6-16)12(19)20/h1-4,9,16H,5-6H2,(H,14,18)(H,15,17)(H,19,20)(H2,13,21,22)
InChiKey KQJIHFPTOLHMBQ-UHFFFAOYSA-N
Formula C12H15N3O7S Molecular Weight 345.33
Cross Link CHEMBL152406
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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