CFam Chemical Families Database
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You are searching for "CFAMM00129466" in compound.

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CFAM Mol ID CFAMM00129466
Family CFFCD31 Cholesteryl ester transfer protein Inhibitor Anacetrapib Family
Superfamily CFSCD29 Cholesteryl ester transfer protein Inhibitor Anacetrapib Superfamily
Class CFCCD24 Class 837
External ID DCL000048 External Source TTD
PubChem CID 11556427 Functional Category Clinical Trial Drug
Molecule Name Anacetrapib
IUPAC Name (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
Synonyms 875446-37-0;MK-0859;MK0859;Anacetrapib (USAN);Anacetrapib (MK-0859);UNII-P7T269PR6S;CHEMBL1800807;D08855;CID11556427;CID 11556427
InChi InChI=1S/C30H25F10NO3/c1-14(2)22-11-23(25(43-4)12-24(22)31)21-6-5-18(28(32,33)34)9-17(21)13-41-15(3)26(44-27(41)42)16-7-19(29(35,36)37)10-20(8-16)30(38,39)40/h5-12,14-15,26H,13H2,1-4H3/t15-,26-/m0/s1
InChiKey MZZLGJHLQGUVPN-HAWMADMCSA-N
Formula C30H25F10NO3 Molecular Weight 637.51
Cross Link CHEMBL1800807
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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