General Information of the Compound
Compound ID
CP0017037
Compound Name
8-(dibenzo[b,d]thiophen-4-yl)-2-morpholino-4H-chromen-4-one
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Synonyms
NU-7432
NU-7441
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Structure
Formula
C25H19NO3S
Molecular Weight
413.498
Canonical SMILES
O=c1cc(oc2c(cccc12)-c1cccc2c3ccccc3sc12)N1CCOCC1
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InChI
InChI=1S/C25H19NO3S/c27-21-15-23(26-11-13-28-14-12-26)29-24-17(6-3-9-20(21)24)19-8-4-7-18-16-5-1-2-10-22(16)30-25(18)19/h1-10,15H,11-14H2
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InChIKey
JAMULYFATHSZJM-UHFFFAOYSA-N
Physicochemical Property
logP
5.6645
Rotatable Bonds
2
Heavy Atom Count
30
Polar Areas
42.68
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 11327430
SID: 16417480
ChEMBL ID
CHEMBL188678
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
EC50 = 212 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 10 nM
2 IC50 = 12 nM
3 IC50 = 14 nM
4 IC50 = 20 nM
5 IC50 = 28 nM
6 IC50 = 30 nM
7 IC50 = 40 nM
8 IC50 = 42 nM
9 Ki = 0.65 nM
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 14000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( NU-7432 )
Drug Name NU-7432
Target(s)
DNA-dependent protein kinase catalytic (PRKDC)
Inhibitor