General Information of the Compound
Compound ID
CP0469526
Compound Name
5-Piperidin-1-ylpentanoic acid(3'-acetylbiphenyl-4-yl)amide
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Structure
Formula
C24H30N2O2
Molecular Weight
378.516
Canonical SMILES
CC(=O)c1cccc(c1)-c1ccc(NC(=O)CCCCN2CCCCC2)cc1
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InChI
InChI=1S/C24H30N2O2/c1-19(27)21-8-7-9-22(18-21)20-11-13-23(14-12-20)25-24(28)10-3-6-17-26-15-4-2-5-16-26/h7-9,11-14,18H,2-6,10,15-17H2,1H3,(H,25,28)
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InChIKey
CEEDYZVKLZCRDZ-UHFFFAOYSA-N
Physicochemical Property
logP
5.1509
Rotatable Bonds
8
Heavy Atom Count
28
Polar Areas
49.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 45484296
ChEMBL ID
CHEMBL568671
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 = 990 nM
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