CFam Chemical Families Database
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You are searching for "CFAMM00414436" 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 CFAMM00414436
Family CFFBM12212 P2X purinoceptor 7 inhibitor AGN-PC-088GBV family
Superfamily CFSBM5699 P2X purinoceptor 7 and Alpha-1D adrenergic receptor Binder Superfamily
Class CFCID1694 Class 3044
External ID CHEMBL2218650 External Source CHEMBL
PubChem CID 49838909 Functional Category Bioactive
Molecule Name AGN-PC-088GBV
IUPAC Name 1-(5-bromo-2-chlorophenyl)-4-[(2-chloro-4-fluorophenyl)methyl]piperazine-2,3-dione
Synonyms SureCN3722193;1-(5-bromo-2-chlorophenyl)-4-[(2-chloro-4-fluorophenyl)methyl]piperazine-2,3-dione
InChi InChI=1S/C17H12BrCl2FN2O2/c18-11-2-4-13(19)15(7-11)23-6-5-22(16(24)17(23)25)9-10-1-3-12(21)8-14(10)20/h1-4,7-8H,5-6,9H2
InChiKey QEOADSOJLGOBBJ-UHFFFAOYSA-N
Formula C17H12BrCl2FN2O2 Molecular Weight 446.10
Cross Link CHEMBL2218650
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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