CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00229188" 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.

Search Results

CFAM Mol ID CFAMM00229188
Family CFFID1144 D(2) dopamine receptor and D(3) dopamine receptor Ligand (-)-3-(1-propyl-piperidin-3-yl)-benzonitrile Family
Superfamily CFSAD368 Amine oxidase [flavin-containing] B Inhibitor Selegiline Superfamily
Class CFCAD346 Class 346
External ID CHEMBL1255935 External Source CHEMBL
PubChem CID 11957534 Functional Category Bioactive
Molecule Name S(-)-DS 121 hydrochloride
IUPAC Name 3-[(3S)-1-propylpiperidin-3-yl]benzonitrile;hydrochloride
Synonyms S(-)-3-(1-Propyl-3-piperidinyl)benzonitrile hydrochloride-hemicarbonate salt;EU-0100449;D206_SIGMA;S(-)-Ds 121 HCl;CTK8G3010;AG-L-66787;NCGC00093865-01;D-206;S(-)-3-(1-Propyl-3-piperidinyl)-benzonitrile hydrochloride
InChi InChI=1S/C15H20N2.ClH/c1-2-8-17-9-4-7-15(12-17)14-6-3-5-13(10-14)11-16;/h3,5-6,10,15H,2,4,7-9,12H2,1H3;1H/t15-;/m1./s1
InChiKey AZJNIMLZMPQSPE-XFULWGLBSA-N
Formula C15H21ClN2 Molecular Weight 264.79
Cross Link CHEMBL1255935
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
 

 

45918 visits since 2014 .........

 



Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00229188'),None, txtsearch, CFAMM00229188|