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TNKS-2-IN-4

CAT: 0013-GTR19275030-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19275030-01Size:50 mg
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Description
TNKS-2-IN-4 (Compound 17) is a selective inhibitor of TNKS-2 with an IC50 value of 19 nM, demonstrating anticancer activity against colorectal cancer.
CAS Number
1613436-03-5
Smiles
O=C1NC (C=2C=CC=CC2) =C (C=3C1=CC=CC3C) C
Molecular Formula
C17H15NO
Molecular Weight
249.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4,5-Dimethyl-3-Phenylisoquinolin-1(2h)-One
CAS Number1613436-03-5
PubChem CID76281254
IUPAC Name4,5-dimethyl-3-phenyl-2H-isoquinolin-1-one
Molecular FormulaC17H15NO
Molecular Weight249.31
XLogP3.2
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity392
SMILES
CC1=C2C(=C(NC(=O)C2=CC=C1)C3=CC=CC=C3)C
InChI
InChI=1S/C17H15NO/c1-11-7-6-10-14-15(11)12(2)16(18-17(14)19)13-8-4-3-5-9-13/h3-10H,1-2H3,(H,18,19)
InChIKey
GRSACGLQNOTJPL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,5-Dimethyl-3-Phenylisoquinolin-1(2h)-One
CAS: 1613436-03-5
CID: 76281254
Formula: C17H15NO
MW: 249.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight249.31
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass249.115364102
Monoisotopic Mass249.115364102
Topological Polar Surface Area29.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity392
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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