CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00229203" 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 CFAMM00229203
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 21181834 External Source PubChem
PubChem CID 21181834 Functional Category Patent Compound
Molecule Name SureCN7968611
IUPAC Name 5-[benzyl(methyl)amino]-2-propan-2-yl-2-[2-(trifluoromethyl)phenyl]hexanenitrile
Synonyms AGN-PC-0377MA;5-[benzyl(methyl)amino]-2-propan-2-yl-2-[2-(trifluoromethyl)phenyl]hexanenitrile
InChi InChI=1S/C24H29F3N2/c1-18(2)23(17-28,21-12-8-9-13-22(21)24(25,26)27)15-14-19(3)29(4)16-20-10-6-5-7-11-20/h5-13,18-19H,14-16H2,1-4H3
InChiKey HNAJYTMVBQEQSJ-UHFFFAOYSA-N
Formula C24H29F3N2 Molecular Weight 402.50
Cross Link
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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