General Information of the Compound
Compound ID
CP0425733
Compound Name
4-(Benzyloxy)-1-(4-{[1-(dimethylamino)-2-methylpropan-2-yl]oxy}phenyl)pyridin-2(1H)-one
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Structure
Formula
C24H28N2O3
Molecular Weight
392.499
Canonical SMILES
CN(C)CC(C)(C)Oc1ccc(cc1)-n1ccc(OCc2ccccc2)cc1=O
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InChI
InChI=1S/C24H28N2O3/c1-24(2,18-25(3)4)29-21-12-10-20(11-13-21)26-15-14-22(16-23(26)27)28-17-19-8-6-5-7-9-19/h5-16H,17-18H2,1-4H3
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InChIKey
ZPONMQAJTFIAHB-UHFFFAOYSA-N
Physicochemical Property
logP
4.1355
Rotatable Bonds
8
Heavy Atom Count
29
Polar Areas
43.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 53324269
ChEMBL ID
CHEMBL1642489
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: PT01027, Melanin-concentrating hormone receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 180 nM
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