General Information of the Compound
Compound ID
CP0293205
Compound Name
2-((E)-3-Biphenyl-4-yl-acryloylamino)-benzoic acid
    Show/Hide
Structure
Formula
C22H17NO3
Molecular Weight
343.382
Canonical SMILES
OC(=O)c1ccccc1NC(=O)\C=C\c1ccc(cc1)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C22H17NO3/c24-21(23-20-9-5-4-8-19(20)22(25)26)15-12-16-10-13-18(14-11-16)17-6-2-1-3-7-17/h1-15H,(H,23,24)(H,25,26)/b15-12+
    Show/Hide
InChIKey
AIGCPSYTABFABO-NTCAYCPXSA-N
Physicochemical Property
logP
4.7037
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
66.4
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 44385920
ChEMBL ID
CHEMBL176974
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: PT04908, Transient receptor potential cation channel subfamily M member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 2560 nM
   TI
   LI
   LO
   TS