CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00310830" 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 CFAMM00310830
Family CFFBM364 Motilin receptor and Cytochrome P450 2D6 ligand 7-[[6-(4-chlorophenyl)pyridin-3-yl]sulfonylmethyl]-2,3,4,5-tetrahydro-1H-3-benzazepine family
Superfamily CFSBM231 5-hydroxytryptamine receptor 6 and Cytochrome P450 3A4 Binder Superfamily 2
Class CFCID225 Class 1575
External ID CHEMBL1078464 External Source CHEMBL
PubChem CID 46882797 Functional Category Bioactive
Molecule Name AGN-PC-07ZBEG
IUPAC Name N-(4-fluorophenyl)-5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylmethylsulfonyl)pyridin-2-amine
Synonyms CHEBI:717758;N-(4-fluorophenyl)-5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylmethylsulfonyl)pyridin-2-amine
InChi InChI=1S/C22H22FN3O2S/c23-19-3-5-20(6-4-19)26-22-8-7-21(14-25-22)29(27,28)15-16-1-2-17-9-11-24-12-10-18(17)13-16/h1-8,13-14,24H,9-12,15H2,(H,25,26)
InChiKey PAXSCWZUUPYDJA-UHFFFAOYSA-N
Formula C22H22FN3O2S Molecular Weight 411.49
Cross Link CHEMBL1078464
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
 

 

27669 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', 'CFAMM00310830'),None, txtsearch, CFAMM00310830|