CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00406017" 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 CFAMM00406017
Family CFFBM10997 Sodium-dependent serotonin transporter and Alpha-1B adrenergic receptor ligand AGN-PC-006VLK family
Superfamily CFSCD472 5-hydroxytryptamine receptor 1A and Sodium-dependent serotonin transporter Ligand Vilazodone Superfamily
Class CFCAD656 Class 656
External ID CHEMBL385133 External Source CHEMBL
PubChem CID 11362693 Functional Category Bioactive
Molecule Name 2-[2-[4-[6-fluoro-1-(2-methoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
IUPAC Name 2-[2-[4-[6-fluoro-1-(2-methoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
Synonyms AGN-PC-007L83;CHEBI:472974;2-[2-[4-[6-fluoro-1-(2-methoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
InChi InChI=1S/C25H29FN2O4/c1-31-14-13-28-17-22(20-7-6-19(26)16-23(20)28)18-8-10-27(11-9-18)12-15-32-24-5-3-2-4-21(24)25(29)30/h2-7,16-18H,8-15H2,1H3,(H,29,30)
InChiKey DDRDBIHCGXAAID-UHFFFAOYSA-N
Formula C25H29FN2O4 Molecular Weight 440.51
Cross Link CHEMBL385133
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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