CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00171192" 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 CFAMM00171192
Family CFFCD763 Elagolix family
Superfamily CFSCD672 Elagolix Superfamily
Class CFCCD190 Class 1003
External ID CHEMBL451916 External Source CHEMBL
PubChem CID 21036878 Functional Category Bioactive
Molecule Name SureCN1380100
IUPAC Name 5-[2-fluoro-3-[1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-3-[(2R)-2-(methylamino)-2-phenylethyl]-2,4-dioxopyrimidin-5-yl]phenoxy]pentanoic acid
Synonyms CHEBI:611281
InChi InChI=1S/C33H32F5N3O5/c1-20-29(22-12-8-15-27(30(22)35)46-17-7-6-16-28(42)43)31(44)41(19-26(39-2)21-10-4-3-5-11-21)32(45)40(20)18-23-24(33(36,37)38)13-9-14-25(23)34/h3-5,8-15,26,39H,6-7,16-19H2,1-2H3,(H,42,43)/t26-/m0/s1
InChiKey PCOIOMHQQCRCRU-SANMLTNESA-N
Formula C33H32F5N3O5 Molecular Weight 645.62
Cross Link CHEMBL451916
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
 

 

27276 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', 'CFAMM00171192'),None, txtsearch, CFAMM00171192|