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NU-7163

CAT: 0013-GTR19199856-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199856-03Size:100 mg
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Description
NU-7163
CAS Number
503468-03-9
Field of Research
Molecular Biology, Signal Transduction
Smiles
O=C1C=2C (=C3C (=CC2) C=CC=C3) OC (=C1) N4CC (C) OCC4
Molecular Formula
C18H17NO3
Molecular Weight
295.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(2-Methylmorpholin-4-yl)benzo(h)chromen-4-one

a radiosensitizing agent that inhibits DNA-dependent protein kinase; structure in first source

CAS Number503468-03-9
PubChem CID10017389
IUPAC Name2-(2-methylmorpholin-4-yl)benzo[h]chromen-4-one
Molecular FormulaC18H17NO3
Molecular Weight295.3
XLogP3.2
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity475
SMILES
CC1CN(CCO1)C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3
InChI
InChI=1S/C18H17NO3/c1-12-11-19(8-9-21-12)17-10-16(20)15-7-6-13-4-2-3-5-14(13)18(15)22-17/h2-7,10,12H,8-9,11H2,1H3
InChIKey
RFWCIJWQGHFULK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Methylmorpholin-4-yl)benzo(h)chromen-4-one
CAS: 503468-03-9
CID: 10017389
Formula: C18H17NO3
MW: 295.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.3
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass295.12084340
Monoisotopic Mass295.12084340
Topological Polar Surface Area38.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity475
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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