General Information of the Compound
Compound ID
CP0005788
Compound Name
N-(5-phenyl-1H-pyrazol-3-yl)-5-piperidin-1-ylpentanamide
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Structure
Formula
C19H26N4O
Molecular Weight
326.444
Canonical SMILES
O=C(CCCCN1CCCCC1)Nc1cc([nH]n1)-c1ccccc1
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InChI
InChI=1S/C19H26N4O/c24-19(11-5-8-14-23-12-6-2-7-13-23)20-18-15-17(21-22-18)16-9-3-1-4-10-16/h1,3-4,9-10,15H,2,5-8,11-14H2,(H2,20,21,22,24)
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InChIKey
RVSCCPPOAMFEOB-UHFFFAOYSA-N
Physicochemical Property
logP
3.6714
Rotatable Bonds
7
Heavy Atom Count
24
Polar Areas
61.02
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 118735741
ChEMBL ID
CHEMBL3422585
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
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 660 nM
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