General Information of the Compound
Compound ID
CP0244065
Compound Name
3-amino-1-methyl-5-(2-phenoxyphenyl)pyridin-2-one
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Structure
Formula
C18H16N2O2
Molecular Weight
292.338
Canonical SMILES
Cn1cc(cc(N)c1=O)-c1ccccc1Oc1ccccc1
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InChI
InChI=1S/C18H16N2O2/c1-20-12-13(11-16(19)18(20)21)15-9-5-6-10-17(15)22-14-7-3-2-4-8-14/h2-12H,19H2,1H3
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InChIKey
AMNOLIPFEYJDBI-UHFFFAOYSA-N
Physicochemical Property
logP
3.4268
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
57.25
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 137660755
ChEMBL ID
CHEMBL4100828
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 = 8500 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 3000 nM