CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00160025" in compound.

Total 1 results found.

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 CFAMM00160025
Family CFFCD481 Rho-associated protein kinase 1 Inhibitor Rho-kinase Inhibitor Family
Superfamily CFSCD439 Rho-associated protein kinase 1 Inhibitor Rho-kinase Inhibitor Superfamily
Class CFCCD315 Class 1128
External ID CHEMBL231658 External Source CHEMBL
PubChem CID 16748850 Functional Category Bioactive
Molecule Name AGN-PC-015BY7
IUPAC Name N-[2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide
Synonyms CHEBI:484461;N-[2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide
InChi InChI=1S/C23H26N4O3S/c28-23(27-15-13-26(14-16-27)12-10-19-5-2-1-3-6-19)18-25-31(29,30)22-8-4-7-20-17-24-11-9-21(20)22/h1-9,11,17,25H,10,12-16,18H2
InChiKey RIFIGYHDVBCEIK-UHFFFAOYSA-N
Formula C23H26N4O3S Molecular Weight 438.54
Cross Link CHEMBL231658
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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