General Information of the Compound
Compound ID
CP0376250
Compound Name
4-Morpholin-4-yl-benzo[h]chromen-2-one
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Synonyms
4-Morpholin-4-yl-benzo[h]chromen-2-one
BDBM50159617
CHEMBL179641
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Structure
Formula
C17H15NO3
Molecular Weight
281.311
Canonical SMILES
O=c1cc(N2CCOCC2)c2ccc3ccccc3c2o1
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InChI
InChI=1S/C17H15NO3/c19-16-11-15(18-7-9-20-10-8-18)14-6-5-12-3-1-2-4-13(12)17(14)21-16/h1-6,11H,7-10H2
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InChIKey
QPPKEHFJUVBRAD-UHFFFAOYSA-N
Physicochemical Property
logP
2.7828
Rotatable Bonds
1
Heavy Atom Count
21
Polar Areas
42.68
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 11471539
SID: 16572098
ChEMBL ID
CHEMBL179641
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 = 6660 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-Morpholin-4-yl-benzo[h]chromen-2-one )
Drug Name 4-Morpholin-4-yl-benzo[h]chromen-2-one
Target(s)
DNA-dependent protein kinase catalytic (PRKDC)
Inhibitor