CFam Chemical Families Database
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You are searching for "CFAMM00254336" in compound.

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CFAM Mol ID CFAMM00254336
Family CFFID1924 Poly [ADP-ribose] polymerase 1 Inhibitor 1,7,8,9-tetrahydro-1,5-diaza-trindene-4,6-dione Family
Superfamily CFSID1458 Poly [ADP-ribose] polymerase 1 and Serine/threonine-protein kinase Chk1 Binder Superfamily 2
Class CFCCD116 Class 929
External ID CHEMBL129979 External Source CHEMBL
PubChem CID 44353233 Functional Category Bioactive
Molecule Name AGN-PC-075KVT
IUPAC Name 2-[5-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pentyl]isoindole-1,3-dione
Synonyms CHEBI:316669;2-[5-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]pentyl]isoindole-1,3-dione
InChi InChI=1S/C26H26ClN3O2/c27-19-8-9-24-22(16-19)23(17-28-24)18-10-14-29(15-11-18)12-4-1-5-13-30-25(31)20-6-2-3-7-21(20)26(30)32/h2-3,6-10,16-17,28H,1,4-5,11-15H2
InChiKey RIJJQSBEJRHVSU-UHFFFAOYSA-N
Formula C26H26ClN3O2 Molecular Weight 447.96
Cross Link CHEMBL129979
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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