CFam Chemical Families Database
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You are searching for "CFAMM00475543" in compound.

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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 CFAMM00475543
Family CFFBM25708 Caspase-3 inhibitor AGN-PC-00ELYM family
Superfamily CFSBM10074 Caspase-3 and Beta-lactamase Binder Superfamily
Class CFCAD281 Class 281
External ID CHEMBL206844 External Source CHEMBL
PubChem CID 11683258 Functional Category Bioactive
Molecule Name AGN-PC-00E28N
IUPAC Name N-(3-propoxyphenyl)-N'-(1,3,4-trioxoisoquinolin-6-yl)butanediamide
Synonyms Isoquinoline-1,3,4-trione 13k;N-(3-propoxyphenyl)-N'-(1,3,4-trioxoisoquinolin-6-yl)butanediamide
InChi InChI=1S/C22H21N3O6/c1-2-10-31-15-5-3-4-13(11-15)23-18(26)8-9-19(27)24-14-6-7-16-17(12-14)20(28)22(30)25-21(16)29/h3-7,11-12H,2,8-10H2,1H3,(H,23,26)(H,24,27)(H,25,29,30)
InChiKey BEQPZGFDJJLPFT-UHFFFAOYSA-N
Formula C22H21N3O6 Molecular Weight 423.42
Cross Link CHEMBL206844
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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