General Information of the Compound
Compound ID
CP0457237
Compound Name
2-methyl-2-[4-(3-oxobenzo[f]chromene-2-carbonyl)phenoxy]propanoic acid
    Show/Hide
Structure
Formula
C24H18O6
Molecular Weight
402.402
Canonical SMILES
CC(C)(Oc1ccc(cc1)C(=O)c1cc2c(ccc3ccccc23)oc1=O)C(O)=O
    Show/Hide
InChI
InChI=1S/C24H18O6/c1-24(2,23(27)28)30-16-10-7-15(8-11-16)21(25)19-13-18-17-6-4-3-5-14(17)9-12-20(18)29-22(19)26/h3-13H,1-2H3,(H,27,28)
    Show/Hide
InChIKey
RPBBYNCCUZQDHT-UHFFFAOYSA-N
Physicochemical Property
logP
4.4192
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
93.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 141511167
ChEMBL ID
CHEMBL4217589
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: PT00915, Peroxisome proliferator-activated receptor gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 56710 nM
   TI
   LI
   LO
   TS