General Information of the Compound
Compound ID
CP0527342
Compound Name
N-(2-morpholin-4-ylphenyl)-2-phenylbutanamide
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Structure
Formula
C20H24N2O2
Molecular Weight
324.424
Canonical SMILES
CCC(C(=O)Nc1ccccc1N1CCOCC1)c1ccccc1
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InChI
InChI=1S/C20H24N2O2/c1-2-17(16-8-4-3-5-9-16)20(23)21-18-10-6-7-11-19(18)22-12-14-24-15-13-22/h3-11,17H,2,12-15H2,1H3,(H,21,23)
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InChIKey
PXKJYBFMSLIJJQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.6555
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
41.57
Hydrogen Bond Donor Count
1
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: 4879449
SID: 144218232
ChEMBL ID
CHEMBL2163673
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: PT03912, Potassium voltage-gated channel subfamily KQT member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 12670 nM
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