General Information of the Compound
Compound ID
CP0853887
Compound Name
2-(2-cyclohexylvinyl)-5-phenyl-1H-benzo[d]imidazole
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Structure
Formula
C21H22N2
Molecular Weight
302.421
Canonical SMILES
C(=C/C1CCCCC1)\c1nc2cc(-c3ccccc3)ccc2[nH]1
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InChI
InChI=1S/C21H22N2/c1-3-7-16(8-4-1)11-14-21-22-19-13-12-18(15-20(19)23-21)17-9-5-2-6-10-17/h2,5-6,9-16H,1,3-4,7-8H2,(H,22,23)/b14-11+
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InChIKey
MDWGTGRRIVYKKX-SDNWHVSQSA-N
Physicochemical Property
logP
5.8234
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
28.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
23

"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: 49806082
SID: 103777962
ChEMBL ID
CHEMBL1955867
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: PT00608, Transient receptor potential M8 protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 110 nM
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