CFam Chemical Families Database
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You are searching for "CFAMM00478055" 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 CFAMM00478055
Family CFFBM26320 P2X purinoceptor 7 inhibitor SureCN3722920 family
Superfamily CFSBM935 P2X purinoceptor 7 and D(2) dopamine receptor Binder Superfamily
Class CFCAD217 Class 217
External ID CHEMBL2218104 External Source CHEMBL
PubChem CID 49838787 Functional Category Bioactive
Molecule Name SureCN3719381
IUPAC Name 1-[(2-chloro-4-fluorophenyl)methyl]-4-(2,6-dimethoxyphenyl)piperazine-2,3-dione
Synonyms AGN-PC-088G8N;1-[(2-chloro-4-fluorophenyl)methyl]-4-(2,6-dimethoxyphenyl)piperazine-2,3-dione
InChi InChI=1S/C19H18ClFN2O4/c1-26-15-4-3-5-16(27-2)17(15)23-9-8-22(18(24)19(23)25)11-12-6-7-13(21)10-14(12)20/h3-7,10H,8-9,11H2,1-2H3
InChiKey PGURPZZTELMBEX-UHFFFAOYSA-N
Formula C19H18ClFN2O4 Molecular Weight 392.81
Cross Link CHEMBL2218104
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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