CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00253206" 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 CFAMM00253206
Family CFFID1882 Androgen receptor Ligand YM-175735 Family
Superfamily CFSAD230 dopamine receptor ligand diphenylbutylpiperidine derivative Pimozide Fluspirilene Superfamily
Class CFCAD220 Class 220
External ID CHEMBL228289 External Source CHEMBL
PubChem CID 44424235 Functional Category Bioactive
Molecule Name 1-[(3R,6S)-6-(3-cyanophenyl)-3-bicyclo[4.1.0]heptanyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]urea
IUPAC Name 1-[(3R,6S)-6-(3-cyanophenyl)-3-bicyclo[4.1.0]heptanyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]urea
Synonyms CHEBI:480214
InChi InChI=1S/C30H34F4N4O3S/c1-42(40,41)37-12-8-20(9-13-37)10-14-38(28(39)36-24-5-6-27(31)26(17-24)30(32,33)34)25-7-11-29(18-23(29)16-25)22-4-2-3-21(15-22)19-35/h2-6,15,17,20,23,25H,7-14,16,18H2,1H3,(H,36,39)/t23?,25-,29-/m1/s1
InChiKey TURPWDNGSKAUDF-NXRLCEILSA-N
Formula C30H34F4N4O3S Molecular Weight 606.67
Cross Link CHEMBL228289
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
 

 

69085 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', 'CFAMM00253206'),None, txtsearch, CFAMM00253206|