General Information of the Compound
Compound ID
CP0443878
Compound Name
2-(2-Methoxy-phenyl)-6-morpholin-4-yl-pyran-4-one
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Synonyms
2-(2-methoxyphenyl)-6-morpholino-4H-pyran-4-one
2-Morpholino-6-(2-methoxyphenyl)-4H-pyran-4-one
BDBM50132363
CHEMBL105256
SCHEMBL3538816
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Structure
Formula
C16H17NO4
Molecular Weight
287.315
Canonical SMILES
COc1ccccc1-c1cc(=O)cc(o1)N1CCOCC1
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InChI
InChI=1S/C16H17NO4/c1-19-14-5-3-2-4-13(14)15-10-12(18)11-16(21-15)17-6-8-20-9-7-17/h2-5,10-11H,6-9H2,1H3
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InChIKey
ZDNMYLJFYAXNHH-UHFFFAOYSA-N
Physicochemical Property
logP
2.152
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
51.91
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 21106400
ChEMBL ID
CHEMBL105256
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: PT00955, DNA-dependent protein kinase catalytic subunit
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 380 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(2-methoxyphenyl)-6-morpholino-4H-pyran-4-one )
Drug Name 2-(2-methoxyphenyl)-6-morpholino-4H-pyran-4-one
Target(s)
DNA-dependent protein kinase catalytic (PRKDC)
Inhibitor