CFam Chemical Families Database
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You are searching for "CFAMM00355120" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00355120
Family CFFBM4326 Neutrophil collagenase and Stromelysin-1 inhibitor AGN-PC-073UA4 family
Superfamily CFSBM2528 Stromelysin-1 and Neutrophil collagenase Binder Superfamily 3
Class CFCBM981 Class 4031
External ID CHEMBL140368 External Source CHEMBL
PubChem CID 44359719 Functional Category Bioactive
Molecule Name AGN-PC-073UA4
IUPAC Name 2-[2-[4-(4-cyanophenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxoacetic acid
Synonyms CHEBI:332142;2-[(3R)-2-[4-(4-cyanophenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-2-oxoacetic acid
InChi InChI=1S/C24H18N2O6S/c25-14-16-5-7-19(8-6-16)32-20-9-11-21(12-10-20)33(30,31)26-15-18-4-2-1-3-17(18)13-22(26)23(27)24(28)29/h1-12,22H,13,15H2,(H,28,29)
InChiKey WVDBZKCLVKPIHE-UHFFFAOYSA-N
Formula C24H18N2O6S Molecular Weight 462.47
Cross Link CHEMBL140368
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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