General Information of the Compound
Compound ID
CP0398920
Compound Name
5-Piperidin-1-ylpentanoic acid(3'-acetylaminobiphenyl-4-yl)amide
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Structure
Formula
C24H31N3O2
Molecular Weight
393.531
Canonical SMILES
CC(=O)Nc1cccc(c1)-c1ccc(NC(=O)CCCCN2CCCCC2)cc1
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InChI
InChI=1S/C24H31N3O2/c1-19(28)25-23-9-7-8-21(18-23)20-11-13-22(14-12-20)26-24(29)10-3-6-17-27-15-4-2-5-16-27/h7-9,11-14,18H,2-6,10,15-17H2,1H3,(H,25,28)(H,26,29)
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InChIKey
GPSMKVSMJZWMLK-UHFFFAOYSA-N
Physicochemical Property
logP
4.9067
Rotatable Bonds
8
Heavy Atom Count
29
Polar Areas
61.44
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 45484305
ChEMBL ID
CHEMBL565541
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: PT02118, Neuronal acetylcholine receptor subunit alpha-7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000029 GH4C1 Rattus norvegicus (Rat)  1
1
EC50 = 120 nM
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