CFam Chemical Families Database
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You are searching for "CFAMM00142754" in compound.

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CFAM Mol ID CFAMM00142754
Family CFFCD203 Arachidonate 5-lipoxygenase Inhibitor MK-591 Family
Superfamily CFSCD184 Arachidonate 5-lipoxygenase Inhibitor MK-591 Superfamily
Class CFCCD145 Class 958
External ID CHEMBL1922655 External Source CHEMBL
PubChem CID 56850255 Functional Category Bioactive
Molecule Name 3-[3-tert-butylsulfanyl-5-[(5-methylpyridin-2-yl)methoxy]-1-[[4-[4-(trifluoromethyl)pyridin-2-yl]phenyl]methyl]indol-2-yl]-2,2-dimethylpropanoic acid
IUPAC Name 3-[3-tert-butylsulfanyl-5-[(5-methylpyridin-2-yl)methoxy]-1-[[4-[4-(trifluoromethyl)pyridin-2-yl]phenyl]methyl]indol-2-yl]-2,2-dimethylpropanoic acid
Synonyms AGN-PC-0BJE3M;SureCN1724801;3-[3-tert-butylsulfanyl-5-[(5-methylpyridin-2-yl)methoxy]-1-[[4-[4-(trifluoromethyl)pyridin-2-yl]phenyl]methyl]indol-2-yl]-2,2-dimethylpropanoic acid
InChi InChI=1S/C37H38F3N3O3S/c1-23-7-12-27(42-20-23)22-46-28-13-14-31-29(18-28)33(47-35(2,3)4)32(19-36(5,6)34(44)45)43(31)21-24-8-10-25(11-9-24)30-17-26(15-16-41-30)37(38,39)40/h7-18,20H,19,21-22H2,1-6H3,(H,44,45)
InChiKey GXYBYLNYVQUPKN-UHFFFAOYSA-N
Formula C37H38F3N3O3S Molecular Weight 661.78
Cross Link CHEMBL1922655
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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