CFam Chemical Families Database
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You are searching for "CFAMM00135505" 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 CFAMM00135505
Family CFFCD122 Neuromedin-K receptor Ligand Osanetant Family
Superfamily CFSCD111 Neuromedin-K receptor Ligand Osanetant Superfamily
Class CFCCD95 Class 908
External ID CHEMBL554885 External Source CHEMBL
PubChem CID 19788003 Functional Category Bioactive
Molecule Name SureCN9354863
IUPAC Name 2-(3,4-dichlorophenyl)-1-[4,4-dimethyl-1-(pyrrolidin-1-ylmethyl)-1,3-dihydroisoquinolin-2-yl]ethanone;hydrochloride
Synonyms AGN-PC-02K3N4;2-(3,4-dichlorophenyl)-1-[4,4-dimethyl-1-(pyrrolidin-1-ylmethyl)-1,3-dihydroisoquinolin-2-yl]ethanone;hydrochloride
InChi InChI=1S/C24H28Cl2N2O.ClH/c1-24(2)16-28(23(29)14-17-9-10-20(25)21(26)13-17)22(15-27-11-5-6-12-27)18-7-3-4-8-19(18)24;/h3-4,7-10,13,22H,5-6,11-12,14-16H2,1-2H3;1H
InChiKey XDKBNXOQANJBJQ-UHFFFAOYSA-N
Formula C24H29Cl3N2O Molecular Weight 467.86
Cross Link CHEMBL554885
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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