CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00112565" 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 CFAMM00112565
Family CFFAD911 Noradrenergic re-uptake Inhibitor Desvenalfaxine Succinate Family
Superfamily CFSAD767 Noradrenergic re-uptake Inhibitor Desvenalfaxine Succinate Superfamily
Class CFCAD684 Class 684
External ID CHEMBL329957 External Source CHEMBL
PubChem CID 9819576 Functional Category Bioactive
Molecule Name 3-[(3R,4R)-1-(3-cyclohexyl-3-hydroxypropyl)-3,4-dimethylpiperidin-4-yl]phenol
IUPAC Name 3-[(3R,4R)-1-(3-cyclohexyl-3-hydroxypropyl)-3,4-dimethylpiperidin-4-yl]phenol
Synonyms CHEBI:257923
InChi InChI=1S/C22H35NO2/c1-17-16-23(13-11-21(25)18-7-4-3-5-8-18)14-12-22(17,2)19-9-6-10-20(24)15-19/h6,9-10,15,17-18,21,24-25H,3-5,7-8,11-14,16H2,1-2H3/t17-,21?,22+/m0/s1
InChiKey LVVHEFJXPXAUDD-QNGGVGCWSA-N
Formula C22H35NO2 Molecular Weight 345.52
Cross Link CHEMBL329957
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
 

 

67910 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', 'CFAMM00112565'),None, txtsearch, CFAMM00112565|