General Information of the Compound
Compound ID
CP0372718
Compound Name
4'-butoxy-2-fluoro-3'-((2-fluoro-4-(trifluoromethyl)benzamido)methyl)biphenyl-4-carboxylic acid
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Structure
Formula
C26H22F5NO4
Molecular Weight
507.455
Canonical SMILES
CCCCOc1ccc(cc1CNC(=O)c1ccc(cc1F)C(F)(F)F)-c1ccc(cc1F)C(O)=O
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InChI
InChI=1S/C26H22F5NO4/c1-2-3-10-36-23-9-5-15(19-7-4-16(25(34)35)12-21(19)27)11-17(23)14-32-24(33)20-8-6-18(13-22(20)28)26(29,30)31/h4-9,11-13H,2-3,10,14H2,1H3,(H,32,33)(H,34,35)
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InChIKey
RJMCXJNEZOBVDL-UHFFFAOYSA-N
Physicochemical Property
logP
6.4577
Rotatable Bonds
9
Heavy Atom Count
36
Polar Areas
75.63
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
36

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 46879906
SID: 104168246
ChEMBL ID
CHEMBL1079944
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 53 nM
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