General Information of the Compound
Compound ID
CP0332164
Compound Name
7-Methoxy-4-morpholin-4-yl-chromen-2-one
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Synonyms
7-Methoxy-4-morpholin-4-yl-chromen-2-one
7-methoxy-4-morpholin-4-yl-chromen-2-one
BDBM50159670
CHEMBL177241
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Structure
Formula
C14H15NO4
Molecular Weight
261.277
Canonical SMILES
COc1ccc2c(cc(=O)oc2c1)N1CCOCC1
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InChI
InChI=1S/C14H15NO4/c1-17-10-2-3-11-12(15-4-6-18-7-5-15)9-14(16)19-13(11)8-10/h2-3,8-9H,4-7H2,1H3
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InChIKey
DRJQJIYPCHBMLO-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).

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PubChem ID
CID: 11357448
SID: 16449627
ChEMBL ID
CHEMBL177241
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 = 11310 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 5400 nM
Clinical Information about the Compound
Drug 1 ( 7-Methoxy-4-morpholin-4-yl-chromen-2-one )
Drug Name 7-Methoxy-4-morpholin-4-yl-chromen-2-one
Target(s)
DNA-dependent protein kinase catalytic (PRKDC)
Inhibitor