CFam Chemical Families Database
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You are searching for "CFAMM00314655" in compound.

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CFAM Mol ID CFAMM00314655
Family CFFBM721 Prostaglandin D2 receptor 2 ligand AGN-PC-00DDG8 family
Superfamily CFSBM426 Peroxisome proliferator-activated receptor alpha and Peroxisome proliferator-activated receptor delta Binder Superfamily
Class CFCCD392 Class 1205
External ID CHEMBL40836 External Source CHEMBL
PubChem CID 44288613 Functional Category Bioactive
Molecule Name 2-[1-[[(1R)-3-[2-(2-hydroxypropan-2-yl)phenyl]-1-[3-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
IUPAC Name 2-[1-[[(1R)-3-[2-(2-hydroxypropan-2-yl)phenyl]-1-[3-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
Synonyms CHEBI:162532
InChi InChI=1S/C36H39NO4S2/c1-35(2,40)30-10-5-4-8-26(30)14-17-32(43-24-36(19-20-36)22-34(38)39)28-9-6-7-25(21-28)11-18-33-37-31(23-42-33)27-12-15-29(41-3)16-13-27/h4-13,15-16,18,21,23,32,40H,14,17,19-20,22,24H2,1-3H3,(H,38,39)/b18-11+/t32-/m1/s1
InChiKey ABUORUUTGDPPSU-CFGRSBKHSA-N
Formula C36H39NO4S2 Molecular Weight 613.83
Cross Link CHEMBL40836
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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