General Information of the Compound
Compound ID
CP0463348
Compound Name
2-(3-(1-isopentylpiperidin-4-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-N-methylacetamide
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Structure
Formula
C20H30N4O2
Molecular Weight
358.486
Canonical SMILES
CNC(=O)Cn1c2ccccc2n(C2CCN(CCC(C)C)CC2)c1=O
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InChI
InChI=1S/C20H30N4O2/c1-15(2)8-11-22-12-9-16(10-13-22)24-18-7-5-4-6-17(18)23(20(24)26)14-19(25)21-3/h4-7,15-16H,8-14H2,1-3H3,(H,21,25)
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InChIKey
TUWMWDMSXAMIKI-UHFFFAOYSA-N
Physicochemical Property
logP
2.232
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
59.27
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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).

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PubChem ID
CID: 46880153
ChEMBL ID
CHEMBL1076499
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 = 1118 nM
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