General Information of the Compound
Compound ID
CP0498928
Compound Name
N-methyl-2-[2-oxo-3-[1-(4-phenylcyclohexyl)piperidin-4-yl]benzimidazol-1-yl]acetamide
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Structure
Formula
C27H34N4O2
Molecular Weight
446.595
Canonical SMILES
CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CCC(CC2)c2ccccc2)c1=O
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InChI
InChI=1S/C27H34N4O2/c1-28-26(32)19-30-24-9-5-6-10-25(24)31(27(30)33)23-15-17-29(18-16-23)22-13-11-21(12-14-22)20-7-3-2-4-8-20/h2-10,21-23H,11-19H2,1H3,(H,28,32)
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InChIKey
RGMDBHIVIDBPLQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.9123
Rotatable Bonds
5
Heavy Atom Count
33
Polar Areas
59.27
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
33

"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: 46880115
ChEMBL ID
CHEMBL1087277
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: PT01360, Nociceptin receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 253 nM
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