CFam Chemical Families Database
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You are searching for "CFAMM00171179" in compound.

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CFAM Mol ID CFAMM00171179
Family CFFCD763 Elagolix family
Superfamily CFSCD672 Elagolix Superfamily
Class CFCCD190 Class 1003
External ID DNCL002721 External Source TTD
PubChem CID 11250647 Functional Category Clinical Trial Drug
Molecule Name Elagolix
IUPAC Name 4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid
Synonyms 834153-87-6;Elagolix (USAN/INN);SureCN1642523;UNII-5B2546MB5Z;CHEMBL1208155;NBI 56418;NBI-56418;D09335;Z-3253
InChi InChI=1S/C32H30F5N3O5/c1-19-28(21-11-6-14-26(45-2)29(21)34)30(43)40(18-25(20-9-4-3-5-10-20)38-16-8-15-27(41)42)31(44)39(19)17-22-23(32(35,36)37)12-7-13-24(22)33/h3-7,9-14,25,38H,8,15-18H2,1-2H3,(H,41,42)/t25-/m0/s1
InChiKey HEAUOKZIVMZVQL-VWLOTQADSA-N
Formula C32H30F5N3O5 Molecular Weight 631.59
Cross Link CHEMBL1208155
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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