General Information of the Compound
Compound ID
CP0089244
Compound Name
6-Methoxy-4-morpholin-4-yl-chromen-2-one
    Show/Hide
Synonyms
6-Methoxy-4-morpholin-4-yl-chromen-2-one
6-methoxy-4-morpholin-4-yl-chromen-2-one
6-methoxy-4-morpholino-2H-chromen-2-one
79105-88-7
BDBM50159679
CHEMBL175510
NU-7031
SCHEMBL3666851
    Show/Hide
Structure
Formula
C14H15NO4
Molecular Weight
261.277
Canonical SMILES
COc1ccc2oc(=O)cc(N3CCOCC3)c2c1
    Show/Hide
InChI
InChI=1S/C14H15NO4/c1-17-10-2-3-13-11(8-10)12(9-14(16)19-13)15-4-6-18-7-5-15/h2-3,8-9H,4-7H2,1H3
    Show/Hide
InChIKey
UEDWCBYLFYRZFY-UHFFFAOYSA-N
Physicochemical Property
logP
1.6382
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
51.91
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 11196279
SID: 16277808
ChEMBL ID
CHEMBL175510
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 1750 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1200 nM
2 IC50 = 1700 nM
Clinical Information about the Compound
Drug 1 ( 6-Methoxy-4-morpholin-4-yl-chromen-2-one )
Drug Name 6-Methoxy-4-morpholin-4-yl-chromen-2-one
Target(s)
DNA-dependent protein kinase catalytic (PRKDC)
 Target Info 
Inhibitor