CFam Chemical Families Database
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You are searching for "CFAMM00394413" in compound.

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CFAM Mol ID CFAMM00394413
Family CFFBM9312 5-hydroxytryptamine receptor 3A and 5-hydroxytryptamine receptor 3B ligand AGN-PC-004F2I family
Superfamily CFSBM4796 B1 bradykinin receptor and Protease Binder Superfamily
Class CFCCD440 Class 1253
External ID CHEMBL439857 External Source CHEMBL
PubChem CID 11221525 Functional Category Bioactive
Molecule Name AGN-PC-004O4N
IUPAC Name ethyl 2-(4-methylpiperazin-1-yl)-3-propylquinoline-4-carboxylate
Synonyms CHEBI:422378;ethyl 2-(4-methylpiperazin-1-yl)-3-propylquinoline-4-carboxylate
InChi InChI=1S/C20H27N3O2/c1-4-8-16-18(20(24)25-5-2)15-9-6-7-10-17(15)21-19(16)23-13-11-22(3)12-14-23/h6-7,9-10H,4-5,8,11-14H2,1-3H3
InChiKey SRKSNSDIFZUBNH-UHFFFAOYSA-N
Formula C20H27N3O2 Molecular Weight 341.45
Cross Link CHEMBL439857
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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