General Information of the Compound
Compound ID
CP0489723
Compound Name
N,N-dimethyl-2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxamide
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Structure
Formula
C22H22N4O3
Molecular Weight
390.443
Canonical SMILES
CN(C)C(=O)c1ccc2nc([nH]c2c1)N1CCC2(CC1)OC(=O)c1ccccc21
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InChI
InChI=1S/C22H22N4O3/c1-25(2)19(27)14-7-8-17-18(13-14)24-21(23-17)26-11-9-22(10-12-26)16-6-4-3-5-15(16)20(28)29-22/h3-8,13H,9-12H2,1-2H3,(H,23,24)
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InChIKey
SUZORCUEJYIJPL-UHFFFAOYSA-N
Physicochemical Property
logP
2.9308
Rotatable Bonds
2
Heavy Atom Count
29
Polar Areas
78.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 44580746
ChEMBL ID
CHEMBL497785
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: PT01795, Neuropeptide Y receptor type 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000101 L-M(TK-) Mus musculus (Mouse)  1
1
IC50 = 58 nM
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