CFam Chemical Families Database
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You are searching for "CFAMM00390971" in compound.

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CFAM Mol ID CFAMM00390971
Family CFFBM8838 Gonadotropin-releasing hormone receptor ligand ethyl N-[4-[4-[1-[(2R)-2-amino-2-phenylethyl]-3-[(2,6-difluorophenyl)methyl]-4-methyl-2,6-dioxopyrimidin-5-yl]-1,3-thiazol-2-yl]phenyl]carbamate family
Superfamily CFSBM4659 Beta-lactamase and Cathepsin K Binder Superfamily 2
Class CFCBM772 Class 3822
External ID CHEMBL185154 External Source CHEMBL
PubChem CID 44394901 Functional Category Bioactive
Molecule Name 3-[(2R)-2-amino-2-phenylethyl]-5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-[(2,6-difluorophenyl)methyl]-6-methylpyrimidine-2,4-dione
IUPAC Name 3-[(2R)-2-amino-2-phenylethyl]-5-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-[(2,6-difluorophenyl)methyl]-6-methylpyrimidine-2,4-dione
Synonyms CHEBI:409658
InChi InChI=1S/C29H23ClF2N4O2S/c1-17-26(25-16-39-27(34-25)19-10-5-6-11-21(19)30)28(37)36(15-24(33)18-8-3-2-4-9-18)29(38)35(17)14-20-22(31)12-7-13-23(20)32/h2-13,16,24H,14-15,33H2,1H3/t24-/m0/s1
InChiKey XADXSCOINDNOAE-DEOSSOPVSA-N
Formula C29H23ClF2N4O2S Molecular Weight 565.03
Cross Link CHEMBL185154
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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