CFam Chemical Families Database
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You are searching for "CFAMM00412560" in compound.

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CFAM Mol ID CFAMM00412560
Family CFFBM11909 Prostaglandin D2 receptor 2 ligand 2-[4-(difluoromethoxy)-2-ethyl-8-fluoro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-5-yl]oxyacetic acid family
Superfamily CFSBM4862 Menin and Prostaglandin D2 receptor 2 Binder Superfamily
Class CFCBM471 Class 3521
External ID CHEMBL2181746 External Source CHEMBL
PubChem CID 24995212 Functional Category Bioactive
Molecule Name 2-[4-(difluoromethoxy)-2-ethyl-8-fluoro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-5-yl]oxyacetic acid
IUPAC Name 2-[4-(difluoromethoxy)-2-ethyl-8-fluoro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-5-yl]oxyacetic acid
Synonyms AGN-PC-04VF5D;SureCN2573477;2-[4-(difluoromethoxy)-2-ethyl-8-fluoro-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-5-yl]oxyacetic acid
InChi InChI=1S/C24H20F3N3O4/c1-2-18-16(12-14-4-6-15(7-5-14)30-11-3-10-28-30)23(34-24(26)27)21-19(33-13-20(31)32)9-8-17(25)22(21)29-18/h3-11,24H,2,12-13H2,1H3,(H,31,32)
InChiKey PUKHCPWRVXQTQD-UHFFFAOYSA-N
Formula C24H20F3N3O4 Molecular Weight 471.43
Cross Link CHEMBL2181746
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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