General Information of the Compound
Compound ID
CP0370455
Compound Name
2-Morpholin-4-yl-6-phenyl-pyran-4-one
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Synonyms
2-morpholin-4-yl-6-phenyl-pyran-4-one
2-morpholino-6-phenyl-4H-pyran-4-one
CHEMBL105613
SCHEMBL3540014
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Structure
Formula
C15H15NO3
Molecular Weight
257.289
Canonical SMILES
O=c1cc(oc(c1)-c1ccccc1)N1CCOCC1
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InChI
InChI=1S/C15H15NO3/c17-13-10-14(12-4-2-1-3-5-12)19-15(11-13)16-6-8-18-9-7-16/h1-5,10-11H,6-9H2
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InChIKey
QQHMBGBSWORRAG-UHFFFAOYSA-N
Physicochemical Property
logP
2.1434
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
42.68
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 10923175
SID: 15973961
ChEMBL ID
CHEMBL105613
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 = 1100 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1100 nM
Clinical Information about the Compound
Drug 1 ( 2-morpholino-6-phenyl-4H-pyran-4-one )
Drug Name 2-morpholino-6-phenyl-4H-pyran-4-one
Target(s)
DNA-dependent protein kinase catalytic (PRKDC)
Inhibitor