CFam Chemical Families Database
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You are searching for "CFAMM00293309" 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 CFAMM00293309
Family CFFID3532 D(2) dopamine receptor Ligand PD-168077 Family
Superfamily CFSID2437 D(2) dopamine receptor Ligand PD-168077 Superfamily
Class CFCCD137 Class 950
External ID CHEMBL44888 External Source CHEMBL
PubChem CID 9979421 Functional Category Bioactive
Molecule Name SureCN6173943
IUPAC Name ethyl (E)-3-[3-carbamoyl-5-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]phenyl]prop-2-enoate
Synonyms CHEBI:168077
InChi InChI=1S/C24H26N4O3/c1-2-31-23(29)8-7-18-13-19(15-21(14-18)24(26)30)17-27-9-11-28(12-10-27)22-6-4-3-5-20(22)16-25/h3-8,13-15H,2,9-12,17H2,1H3,(H2,26,30)/b8-7+
InChiKey RRZDQHWKSOIWSO-BQYQJAHWSA-N
Formula C24H26N4O3 Molecular Weight 418.49
Cross Link CHEMBL44888
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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