General Information of the Compound
Compound ID
CP0489676
Compound Name
2-(3-(1-(bicyclo[2.2.1]heptan-2-yl)piperidin-4-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-N-methylacetamide
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Structure
Formula
C22H30N4O2
Molecular Weight
382.508
Canonical SMILES
CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)C2CC3CCC2C3)c1=O
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InChI
InChI=1S/C22H30N4O2/c1-23-21(27)14-25-18-4-2-3-5-19(18)26(22(25)28)17-8-10-24(11-9-17)20-13-15-6-7-16(20)12-15/h2-5,15-17,20H,6-14H2,1H3,(H,23,27)
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InChIKey
HPUKHZULLSYZHF-UHFFFAOYSA-N
Physicochemical Property
logP
2.3745
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
59.27
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 46880117
ChEMBL ID
CHEMBL1076484
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 = 487 nM
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   LI
   LO
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