CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00269156" 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 CFAMM00269156
Family CFFID2476 Histamine H3 receptor and Sodium-dependent serotonin transporter Ligand JNJ-28583867 Family
Superfamily CFSID1792 Histamine H3 receptor and Sodium-dependent serotonin transporter Ligand JNJ-28583867 Superfamily
Class CFCID81 Class 1431
External ID CHEMBL394801 External Source CHEMBL
PubChem CID 11582508 Functional Category Bioactive
Molecule Name AGN-PC-00C1UK
IUPAC Name 1-[3-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]piperidine-4-carbonitrile
Synonyms SureCN1036120;CHEBI:493967;1-[3-[[4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propyl]piperidine-4-carbonitrile
InChi InChI=1S/C26H33N3O2/c1-28-18-22-16-24(31-15-3-12-29-13-10-20(17-27)11-14-29)8-9-25(22)26(19-28)21-4-6-23(30-2)7-5-21/h4-9,16,20,26H,3,10-15,18-19H2,1-2H3
InChiKey DTYOTXLNOUBXKR-UHFFFAOYSA-N
Formula C26H33N3O2 Molecular Weight 419.56
Cross Link CHEMBL394801
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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