CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00419308" 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 CFAMM00419308
Family CFFBM12961 D(3) dopamine receptor and D(2) dopamine receptor ligand AGN-PC-076C0V family
Superfamily CFSBM4532 Cytochrome P450 2C9 and Cytochrome P450 3A4 Binder Superfamily 5
Class CFCAD433 Class 433
External ID CHEMBL2364325 External Source CHEMBL
PubChem CID 16041291 Functional Category Bioactive
Molecule Name SureCN5121221
IUPAC Name 1-[3-[4-[[(3S,5R)-3,5-dimethylpiperazin-1-yl]methyl]-3-fluorophenyl]pyridin-2-yl]sulfonyl-N-(2-fluorophenyl)piperidin-4-amine
Synonyms
InChi InChI=1S/C29H35F2N5O2S/c1-20-17-35(18-21(2)33-20)19-23-10-9-22(16-27(23)31)25-6-5-13-32-29(25)39(37,38)36-14-11-24(12-15-36)34-28-8-4-3-7-26(28)30/h3-10,13,16,20-21,24,33-34H,11-12,14-15,17-19H2,1-2H3/t20-,21+
InChiKey ZEHHXSJALXOZOS-OYRHEFFESA-N
Formula C29H35F2N5O2S Molecular Weight 555.68
Cross Link CHEMBL2364325
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
 

 

27423 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', 'CFAMM00419308'),None, txtsearch, CFAMM00419308|