General Information of the Compound
Compound ID
CP0373913
Compound Name
4'-(2-(5-phenyl-1H-imidazol-2-yl)ethyl)biphenyl-2-carboxylic acid
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Structure
Formula
C24H20N2O2
Molecular Weight
368.436
Canonical SMILES
OC(=O)c1ccccc1-c1ccc(CCc2nc(c[nH]2)-c2ccccc2)cc1
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InChI
InChI=1S/C24H20N2O2/c27-24(28)21-9-5-4-8-20(21)18-13-10-17(11-14-18)12-15-23-25-16-22(26-23)19-6-2-1-3-7-19/h1-11,13-14,16H,12,15H2,(H,25,26)(H,27,28)
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InChIKey
MPOMHLWNVYEWLR-UHFFFAOYSA-N
Physicochemical Property
logP
5.2271
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
65.98
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
28

"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: 46882061
ChEMBL ID
CHEMBL1082041
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: PT05422, Bombesin receptor subtype-3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000866 HEK293 AequoScreen Homo sapiens (Human)  1
1
EC50 = 872 nM
   TI
   LI
   LO
   TS
Protein ID: PT01996, Bombesin receptor subtype-3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000866 HEK293 AequoScreen Homo sapiens (Human)  1
1
EC50 = 4949 nM
   TI
   LI
   LO
   TS