General Information of the Compound
Compound ID
CP0522476
Compound Name
(E)-3-(4'-Hydroxy-biphenyl-4-yl)-acrylic acid
    Show/Hide
Structure
Formula
C15H12O3
Molecular Weight
240.258
Canonical SMILES
OC(=O)\C=C\c1ccc(cc1)-c1ccc(O)cc1
    Show/Hide
InChI
InChI=1S/C15H12O3/c16-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(17)18/h1-10,16H,(H,17,18)/b10-3+
    Show/Hide
InChIKey
DSRUVGINFZPVRB-XCVCLJGOSA-N
Physicochemical Property
logP
3.157
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
57.53
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 11253452
SID: 16338570
ChEMBL ID
CHEMBL187836
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: PT01452, Retinoic acid receptor beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
EC50 > 100000 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000423 IGROV-1 Homo sapiens (Human)  1
1
IC50 = 89000 nM
   TI
   LI
   LO
   TS