CFam Chemical Families Database
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You are searching for "CFAMM00425955" in compound.

Total 1 results found.

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CFAM Mol ID CFAMM00425955
Family CFFBM14062 Peroxisome proliferator-activated receptor alpha and Peroxisome proliferator-activated receptor gamma ligand (2S)-2-ethoxy-3-[4-[2-[6-[(Z)-N-methoxy-C-phenylcarbonimidoyl]-4,4-dimethyl-2,3-dihydroquinolin-1-yl]ethoxy]phenyl]propanoic acid family
Superfamily CFSID1284 Peroxisome proliferator-activated receptor gamma and Peroxisome proliferator-activated receptor alpha Ligand Ragaglitazar Superfamily
Class CFCID846 Class 2196
External ID CHEMBL555484 External Source CHEMBL
PubChem CID 45271445 Functional Category Bioactive
Molecule Name (2S)-2-(2-benzoylanilino)-3-[4-[2-[6-[(E)-N-methoxy-C-phenylcarbonimidoyl]-4,4-dimethyl-2,3-dihydroquinolin-1-yl]ethoxy]phenyl]propanoic acid
IUPAC Name (2S)-2-(2-benzoylanilino)-3-[4-[2-[6-[(E)-N-methoxy-C-phenylcarbonimidoyl]-4,4-dimethyl-2,3-dihydroquinolin-1-yl]ethoxy]phenyl]propanoic acid
Synonyms CHEBI:663545
InChi InChI=1S/C43H43N3O5/c1-43(2)24-25-46(39-23-20-33(29-36(39)43)40(45-50-3)31-12-6-4-7-13-31)26-27-51-34-21-18-30(19-22-34)28-38(42(48)49)44-37-17-11-10-16-35(37)41(47)32-14-8-5-9-15-32/h4-23,29,38,44H,24-28H2,1-3H3,(H,48,49)/b45-40+/t38-/m0/s1
InChiKey BBEUDIUBZYKMHM-UNVZBQTISA-N
Formula C43H43N3O5 Molecular Weight 681.82
Cross Link CHEMBL555484
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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