CFam Chemical Families Database
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You are searching for "CFAMM00276271" 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 CFAMM00276271
Family CFFID2781 Poly [ADP-ribose] polymerase 1 Inhibitor N-(4-phenylthiazol-2-yl)isonicotinamide Family
Superfamily CFSID1436 Cyclin-dependent kinase 5 and Poly [ADP-ribose] polymerase 1 Binder Superfamily
Class CFCID250 Class 1600
External ID CHEMBL462874 External Source CHEMBL
PubChem CID 44565185 Functional Category Bioactive
Molecule Name AGN-PC-078XSH
IUPAC Name 6-(4-carbamoylpiperidin-1-yl)-5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
Synonyms CHEBI:558070;6-(4-carbamoylpiperidin-1-yl)-5-chloro-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
InChi InChI=1S/C22H18ClF4N5O2S/c23-15-8-12(9-29-19(15)32-6-4-11(5-7-32)18(28)33)20(34)31-21-30-16(10-35-21)13-2-1-3-14(17(13)24)22(25,26)27/h1-3,8-11H,4-7H2,(H2,28,33)(H,30,31,34)
InChiKey RDTWLEBCFLFHPB-UHFFFAOYSA-N
Formula C22H18ClF4N5O2S Molecular Weight 527.92
Cross Link CHEMBL462874
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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