CFam Chemical Families Database
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You are searching for "CFAMM00378812" in compound.

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CFAM Mol ID CFAMM00378812
Family CFFBM7294 Prostaglandin D2 receptor 2 and Prostaglandin D2 receptor ligand 2-[3-[2-[[ethyl(phenylmethoxycarbonyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetic acid family
Superfamily CFSBM4108 Prostaglandin D2 receptor 2 and Prostaglandin D2 receptor Binder Superfamily 2
Class CFCBM1489 Class 4539
External ID CHEMBL1916702 External Source CHEMBL
PubChem CID 44159647 Functional Category Bioactive
Molecule Name 2-[3-[2-[[cyclobutyl(phenylmethoxycarbonyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetic acid
IUPAC Name 2-[3-[2-[[cyclobutyl(phenylmethoxycarbonyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetic acid
Synonyms SureCN138446;AGN-PC-071UP8;2-[3-[2-[[cyclobutyl(phenylmethoxycarbonyl)amino]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetic acid
InChi InChI=1S/C29H28F3NO5/c1-37-26-13-10-20(15-27(34)35)14-25(26)24-12-11-22(29(30,31)32)16-21(24)17-33(23-8-5-9-23)28(36)38-18-19-6-3-2-4-7-19/h2-4,6-7,10-14,16,23H,5,8-9,15,17-18H2,1H3,(H,34,35)
InChiKey JBIYMJVQXSFADE-UHFFFAOYSA-N
Formula C29H28F3NO5 Molecular Weight 527.53
Cross Link CHEMBL1916702
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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