CFam Chemical Families Database
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You are searching for "CFAMM00414368" in compound.

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CFAM Mol ID CFAMM00414368
Family CFFBM12201 P2X purinoceptor 7 inhibitor (6E)-6-[7-[2-chloro-3-(trifluoromethyl)benzoyl]-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ylidene]cyclohexa-2,4-dien-1-one family
Superfamily CFSBM5701 P2X purinoceptor 7 Binder Superfamily 5
Class CFCBM1842 Class 4892
External ID CHEMBL2218237 External Source CHEMBL
PubChem CID 66599475 Functional Category Bioactive
Molecule Name SureCN110571
IUPAC Name (2-chloro-4-fluorophenyl)-[3-(3-methoxyphenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
Synonyms
InChi InChI=1S/C19H16ClFN4O2/c1-27-14-4-2-3-12(9-14)18-23-22-17-11-24(7-8-25(17)18)19(26)15-6-5-13(21)10-16(15)20/h2-6,9-10H,7-8,11H2,1H3
InChiKey JZUAKHXYCFPQER-UHFFFAOYSA-N
Formula C19H16ClFN4O2 Molecular Weight 386.81
Cross Link CHEMBL2218237
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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