General Information of the Compound
Compound ID
CP0500850
Compound Name
6-Methyl-4-morpholin-4-yl-chromen-2-one
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Synonyms
6-Methyl-4-morpholin-4-yl-chromen-2-one
6-Methyl-4-morpholino-coumarin
6-methyl-4-morpholin-4-yl-chromen-2-one
6-methyl-4-morpholin-4-ylchromen-2-one
AB01322204-02
AKOS002216573
BDBM50159606
CHEMBL361588
MCULE-4100962736
MolPort-000-485-396
NCGC00327351-01
ST096430
STK908587
ZINC13608106
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Structure
Formula
C14H15NO3
Molecular Weight
245.278
Canonical SMILES
Cc1ccc2oc(=O)cc(N3CCOCC3)c2c1
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InChI
InChI=1S/C14H15NO3/c1-10-2-3-13-11(8-10)12(9-14(16)18-13)15-4-6-17-7-5-15/h2-3,8-9H,4-7H2,1H3
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InChIKey
XWKCKOOKHALUIU-UHFFFAOYSA-N
Physicochemical Property
logP
1.93802
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
42.68
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
18

"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: 11075707
SID: 16144981
ChEMBL ID
CHEMBL361588
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 = 5350 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 6-Methyl-4-morpholin-4-yl-chromen-2-one )
Drug Name 6-Methyl-4-morpholin-4-yl-chromen-2-one
Target(s)
DNA-dependent protein kinase catalytic (PRKDC)
Inhibitor