General Information of the Compound
Compound ID
CP0198216
Compound Name
1-methyl-5-(2-phenoxyphenyl)pyridin-2-one
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Structure
Formula
C18H15NO2
Molecular Weight
277.323
Canonical SMILES
Cn1cc(ccc1=O)-c1ccccc1Oc1ccccc1
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InChI
InChI=1S/C18H15NO2/c1-19-13-14(11-12-18(19)20)16-9-5-6-10-17(16)21-15-7-3-2-4-8-15/h2-13H,1H3
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InChIKey
UNMTZYAWFXORKZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.8446
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
31.23
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 90026969
ChEMBL ID
CHEMBL4088769
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: PT01462, Bromodomain-containing protein 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000095 NCI-H1299 Homo sapiens (Human)  1
1
EC50 = 4100 nM
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Biochemical Assays
1 Ki = 890 nM
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000183 MX-1 Homo sapiens (Human)  1
1
EC50 = 4800 nM
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