General Information of the Compound
Compound ID
CP0509624
Compound Name
4-methoxy-1-methyl-5-(2-phenoxyphenyl)pyridin-2-one
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Structure
Formula
C19H17NO3
Molecular Weight
307.349
Canonical SMILES
COc1cc(=O)n(C)cc1-c1ccccc1Oc1ccccc1
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InChI
InChI=1S/C19H17NO3/c1-20-13-16(18(22-2)12-19(20)21)15-10-6-7-11-17(15)23-14-8-4-3-5-9-14/h3-13H,1-2H3
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InChIKey
DUSZVYZJMHSZSW-UHFFFAOYSA-N
Physicochemical Property
logP
3.8532
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
40.46
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 90026274
ChEMBL ID
CHEMBL4070131
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 = 2800 nM
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Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000183 MX-1 Homo sapiens (Human)  1
1
EC50 = 1500 nM
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   TS