CFam Chemical Families Database
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You are searching for "CFAMM00414345" in compound.

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CFAM Mol ID CFAMM00414345
Family CFFBM12196 P2X purinoceptor 7 inhibitor SureCN109074 family
Superfamily CFSBM5701 P2X purinoceptor 7 Binder Superfamily 5
Class CFCBM1842 Class 4892
External ID CHEMBL2218664 External Source CHEMBL
PubChem CID 67970189 Functional Category Bioactive
Molecule Name SureCN9930722
IUPAC Name [2-chloro-3-(trifluoromethyl)phenyl]-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
Synonyms
InChi InChI=1S/C15H14ClF3N4O/c1-2-11-20-21-12-8-22(6-7-23(11)12)14(24)9-4-3-5-10(13(9)16)15(17,18)19/h3-5H,2,6-8H2,1H3
InChiKey BOTGHLOGJRXAHL-UHFFFAOYSA-N
Formula C15H14ClF3N4O Molecular Weight 358.75
Cross Link CHEMBL2218664
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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