General Information of the Compound
Compound ID
CP0492271
Compound Name
5-Piperidin-1-yl-pentanoic acid(2'-isopropoxybiphenyl-4-yl)amide
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Structure
Formula
C25H34N2O2
Molecular Weight
394.559
Canonical SMILES
CC(C)Oc1ccccc1-c1ccc(NC(=O)CCCCN2CCCCC2)cc1
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InChI
InChI=1S/C25H34N2O2/c1-20(2)29-24-11-5-4-10-23(24)21-13-15-22(16-14-21)26-25(28)12-6-9-19-27-17-7-3-8-18-27/h4-5,10-11,13-16,20H,3,6-9,12,17-19H2,1-2H3,(H,26,28)
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InChIKey
HWWVGSIRDOQXJD-UHFFFAOYSA-N
Physicochemical Property
logP
5.7355
Rotatable Bonds
9
Heavy Atom Count
29
Polar Areas
41.57
Hydrogen Bond Donor Count
1
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: 45484379
ChEMBL ID
CHEMBL583117
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 = 240 nM
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