General Information of the Compound
Compound ID
CP0316257
Compound Name
4-Morpholin-4-yl-chromen-2-one
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Synonyms
2H-1-Benzopyran-2-one, 4-(4-morpholinyl)-
4-(4-morpholinyl)-2H-chromen-2-one
4-Morpholin-4-yl-chromen-2-one
4-morpholin-4-ylchromen-2-one
4-morpholino-2H-chromen-2-one
4-morpholinyl coumarin
65625-83-4
AC1LFJN6
AI-204/31682008
AKOS000639877
BAS 01256112
BDBM50159613
BIM-0022285.P001
CBMicro_022351
CCG-9410
CHEMBL367262
CTK1I2254
DTXSID30355510
HMS2490I17
MCULE-8859511318
MLS000526002
MolPort-001-959-554
Oprea1_628619
Oprea1_860966
SCHEMBL11450752
SMR000116476
SR-01000312410
ST50008215
ZINC312514
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Structure
Formula
C13H13NO3
Molecular Weight
231.251
Canonical SMILES
O=c1cc(N2CCOCC2)c2ccccc2o1
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InChI
InChI=1S/C13H13NO3/c15-13-9-11(14-5-7-16-8-6-14)10-3-1-2-4-12(10)17-13/h1-4,9H,5-8H2
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InChIKey
YJXJQEJDZPLPTQ-UHFFFAOYSA-N
Physicochemical Property
logP
1.6296
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
42.68
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
17

"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: 804048
ChEMBL ID
CHEMBL367262
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 = 4820 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 4800 nM
Clinical Information about the Compound
Drug 1 ( 4-Morpholin-4-yl-chromen-2-one )
Drug Name 4-Morpholin-4-yl-chromen-2-one
Target(s)
DNA-dependent protein kinase catalytic (PRKDC)
Inhibitor