General Information of the Compound
Compound ID
CP0085461
Compound Name
2-Morpholin-4-yl-benzo[g]chromen-4-one
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Synonyms
2-Morpholin-4-yl-benzo[g]chromen-4-one
2-morpholino-4H-benzo[g]chromen-4-one
4H-Naphtho[2,3-b]pyran-4-one, 2-(4-morpholinyl)-
503467-97-8
BDBM50159668
CHEMBL175883
CTK1G6923
DTXSID10465904
SCHEMBL3536668
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Structure
Formula
C17H15NO3
Molecular Weight
281.311
Canonical SMILES
O=c1cc(oc2cc3ccccc3cc12)N1CCOCC1
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InChI
InChI=1S/C17H15NO3/c19-15-11-17(18-5-7-20-8-6-18)21-16-10-13-4-2-1-3-12(13)9-14(15)16/h1-4,9-11H,5-8H2
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InChIKey
FKURMCWOGPDJSJ-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: 11437483
SID: 16535495
ChEMBL ID
CHEMBL175883
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 = 390 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 400 nM
Clinical Information about the Compound
Drug 1 ( 2-morpholino-4H-benzo[g]chromen-4-one )
Drug Name 2-morpholino-4H-benzo[g]chromen-4-one
Target(s)
DNA-dependent protein kinase catalytic (PRKDC)
 Target Info 
Inhibitor