CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00161952" 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 CFAMM00161952
Family CFFCD515 5-hydroxytryptamine receptor 1A and Sodium-dependent serotonin transporter Ligand Vilazodone Family
Superfamily CFSCD472 5-hydroxytryptamine receptor 1A and Sodium-dependent serotonin transporter Ligand Vilazodone Superfamily
Class CFCAD656 Class 656
External ID CHEMBL208605 External Source CHEMBL
PubChem CID 11327798 Functional Category Bioactive
Molecule Name AGN-PC-006VLK
IUPAC Name 3-[ethyl-[4-(5-fluoro-1H-indol-3-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
Synonyms SureCN5433138;CHEBI:453739;3-[ethyl-[4-(5-fluoro-1H-indol-3-yl)butyl]amino]-8-fluoro-3,4-dihydro-2H-chromene-5-carboxamide
InChi InChI=1S/C24H27F2N3O2/c1-2-29(10-4-3-5-15-13-28-22-9-6-16(25)11-19(15)22)17-12-20-18(24(27)30)7-8-21(26)23(20)31-14-17/h6-9,11,13,17,28H,2-5,10,12,14H2,1H3,(H2,27,30)
InChiKey NGERZXQKWVCCOB-UHFFFAOYSA-N
Formula C24H27F2N3O2 Molecular Weight 427.49
Cross Link CHEMBL208605
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
 

 

72588 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', 'CFAMM00161952'),None, txtsearch, CFAMM00161952|