CFam Chemical Families Database
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You are searching for "CFAMM00360740" 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 CFAMM00360740
Family CFFBM5015 Pyruvate kinase PKM and Huntingtin inhibitor CHEMBL1455935 family
Superfamily CFSID1008 3-oxo-5-alpha-steroid 4-dehydrogenase 1 Inhibitor 5-(4-chloro-phenyl)-1-methyl-piperidin-2-one Superfamily
Class CFCID692 Class 2042
External ID CHEMBL107755 External Source CHEMBL
PubChem CID 44336003 Functional Category Bioactive
Molecule Name AGN-PC-074VB5
IUPAC Name 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone
Synonyms CHEBI:273076;Quinoline, 1-[[4-[(4-chlorophenyl)methyl]-1-piperazinyl]acetyl]decahydro-
InChi InChI=1S/C22H32ClN3O/c23-20-9-7-18(8-10-20)16-24-12-14-25(15-13-24)17-22(27)26-11-3-5-19-4-1-2-6-21(19)26/h7-10,19,21H,1-6,11-17H2
InChiKey WIBZNJPNKFYUFU-UHFFFAOYSA-N
Formula C22H32ClN3O Molecular Weight 389.96
Cross Link CHEMBL107755
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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