CFam Chemical Families Database
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You are searching for "CFAMM00276285" 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 CFAMM00276285
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 CHEMBL523097 External Source CHEMBL
PubChem CID 15950250 Functional Category Bioactive
Molecule Name AGN-PC-00QBTU
IUPAC Name 1-[5-[[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyridin-2-yl]piperidine-4-carboxylic acid
Synonyms CHEBI:557044;1-[5-[[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyridin-2-yl]piperidine-4-carboxylic acid
InChi InChI=1S/C22H18F4N4O3S/c23-18-14(2-1-3-15(18)22(24,25)26)16-11-34-21(28-16)29-19(31)13-4-5-17(27-10-13)30-8-6-12(7-9-30)20(32)33/h1-5,10-12H,6-9H2,(H,32,33)(H,28,29,31)
InChiKey MKSDWTDTNLUZFE-UHFFFAOYSA-N
Formula C22H18F4N4O3S Molecular Weight 494.46
Cross Link CHEMBL523097
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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