General Information of the Compound
Compound ID
CP0388904
Compound Name
2-[3-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]phenyl]acetic acid
    Show/Hide
Structure
Formula
C23H20N2O5
Molecular Weight
404.422
Canonical SMILES
COc1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1cccc(CC(O)=O)c1
    Show/Hide
InChI
InChI=1S/C23H20N2O5/c1-30-18-11-9-16(10-12-18)22(28)25-20-8-3-2-7-19(20)23(29)24-17-6-4-5-15(13-17)14-21(26)27/h2-13H,14H2,1H3,(H,24,29)(H,25,28)(H,26,27)
    Show/Hide
InChIKey
LLFBJXNETFNDDD-UHFFFAOYSA-N
Physicochemical Property
logP
3.8269
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
104.73
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
30

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 118725351
ChEMBL ID
CHEMBL3393185
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
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
EC50 = 5900 nM
   TI
   LI
   LO
   TS