General Information of the Compound
Compound ID
CP0007771
Compound Name
5-morpholin-4-yl-N-(5-phenyl-1H-pyrazol-3-yl)pentanamide
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Structure
Formula
C18H24N4O2
Molecular Weight
328.416
Canonical SMILES
O=C(CCCCN1CCOCC1)Nc1cc([nH]n1)-c1ccccc1
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InChI
InChI=1S/C18H24N4O2/c23-18(8-4-5-9-22-10-12-24-13-11-22)19-17-14-16(20-21-17)15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2,(H2,19,20,21,23)
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InChIKey
CKLRKKFHZITPIR-UHFFFAOYSA-N
Physicochemical Property
logP
2.5177
Rotatable Bonds
7
Heavy Atom Count
24
Polar Areas
70.25
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: 118735740
ChEMBL ID
CHEMBL3422584
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 = 2600 nM
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