CFam Chemical Families Database
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You are searching for "CFAMM00414332" 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 CFAMM00414332
Family CFFBM12194 P2X purinoceptor 7 inhibitor SureCN3652462 family
Superfamily CFSBM5698 P2X purinoceptor 7 Binder Superfamily 4
Class CFCID25 Class 1375
External ID CHEMBL2218079 External Source CHEMBL
PubChem CID 25270119 Functional Category Bioactive
Molecule Name AGN-PC-050ZMM
IUPAC Name 4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(2-methyl-5-morpholin-4-ylphenyl)piperazin-2-one
Synonyms SureCN3659457;4-[2-chloro-3-(trifluoromethyl)benzoyl]-1-(2-methyl-5-morpholin-4-ylphenyl)piperazin-2-one
InChi InChI=1S/C23H23ClF3N3O3/c1-15-5-6-16(28-9-11-33-12-10-28)13-19(15)30-8-7-29(14-20(30)31)22(32)17-3-2-4-18(21(17)24)23(25,26)27/h2-6,13H,7-12,14H2,1H3
InChiKey CDUCIDFYKNEFHA-UHFFFAOYSA-N
Formula C23H23ClF3N3O3 Molecular Weight 481.90
Cross Link CHEMBL2218079
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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