CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00159982" 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 CFAMM00159982
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 CHEMBL2203525 External Source CHEMBL
PubChem CID 53245473 Functional Category Bioactive
Molecule Name N-[[(2S,4R)-4-[(4-methylisoquinolin-5-yl)sulfonylamino]pyrrolidin-2-yl]methyl]acetamide
IUPAC Name N-[[(2S,4R)-4-[(4-methylisoquinolin-5-yl)sulfonylamino]pyrrolidin-2-yl]methyl]acetamide
Synonyms BRD-K22828899-001-01-5;BRD-K22828899-001-02-3
InChi InChI=1S/C17H22N4O3S/c1-11-7-18-8-13-4-3-5-16(17(11)13)25(23,24)21-15-6-14(20-10-15)9-19-12(2)22/h3-5,7-8,14-15,20-21H,6,9-10H2,1-2H3,(H,19,22)/t14-,15+/m0/s1
InChiKey KAAADIFKRHNJHA-LSDHHAIUSA-N
Formula C17H22N4O3S Molecular Weight 362.45
Cross Link CHEMBL2203525
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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