General Information of the Compound
Compound ID
CP0174493
Compound Name
3-hydroxy-5-(2-phenylethyl)-1H-pyridin-2-one
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Structure
Formula
C13H13NO2
Molecular Weight
215.252
Canonical SMILES
Oc1cc(CCc2ccccc2)c[nH]c1=O
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InChI
InChI=1S/C13H13NO2/c15-12-8-11(9-14-13(12)16)7-6-10-4-2-1-3-5-10/h1-5,8-9,15H,6-7H2,(H,14,16)
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InChIKey
XUXZMSAUXVFNPQ-UHFFFAOYSA-N
Physicochemical Property
logP
1.8657
Rotatable Bonds
3
Heavy Atom Count
16
Polar Areas
53.09
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 71187181
SID: 163462746
ChEMBL ID
CHEMBL2338785
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: PT02547, D-amino-acid oxidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 20 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3.9 nM
2 IC50 = 140 nM