General Information of the Compound
Compound ID
CP0012123
Compound Name
5-piperidin-1-yl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)pentanamide
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Structure
Formula
C18H25N5O
Molecular Weight
327.432
Canonical SMILES
O=C(CCCCN1CCCCC1)Nc1cc(n[nH]1)-c1ccncc1
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InChI
InChI=1S/C18H25N5O/c24-18(6-2-5-13-23-11-3-1-4-12-23)20-17-14-16(21-22-17)15-7-9-19-10-8-15/h7-10,14H,1-6,11-13H2,(H2,20,21,22,24)
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InChIKey
DWJPLBZSCNLIAR-UHFFFAOYSA-N
Physicochemical Property
logP
3.0664
Rotatable Bonds
7
Heavy Atom Count
24
Polar Areas
73.91
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 57523384
SID: 137280997
ChEMBL ID
CHEMBL2087449
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 = 6220 nM
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