CFam Chemical Families Database
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You are searching for "CFAMM00171138" in compound.

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CFAM Mol ID CFAMM00171138
Family CFFCD763 Elagolix family
Superfamily CFSCD672 Elagolix Superfamily
Class CFCCD190 Class 1003
External ID CHEMBL178457 External Source CHEMBL
PubChem CID 11455317 Functional Category Bioactive
Molecule Name 3-[(2R)-2-amino-2-phenylethyl]-5-(1,3-benzodioxol-5-yl)-1-[(2,6-difluorophenyl)methyl]-6-methylpyrimidine-2,4-dione
IUPAC Name 3-[(2R)-2-amino-2-phenylethyl]-5-(1,3-benzodioxol-5-yl)-1-[(2,6-difluorophenyl)methyl]-6-methylpyrimidine-2,4-dione
Synonyms CHEBI:399265
InChi InChI=1S/C27H23F2N3O4/c1-16-25(18-10-11-23-24(12-18)36-15-35-23)26(33)32(14-22(30)17-6-3-2-4-7-17)27(34)31(16)13-19-20(28)8-5-9-21(19)29/h2-12,22H,13-15,30H2,1H3/t22-/m0/s1
InChiKey FFDBDHNMNCPWCW-QFIPXVFZSA-N
Formula C27H23F2N3O4 Molecular Weight 491.49
Cross Link CHEMBL178457
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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