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Caspase-6-IN-1

CAT: 0931-T70650-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T70650-01Size:25 mg
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CAS Number
1438463-77-4
Target
Others
Related Pathways
Others
Bioactivity
Caspase-6-IN-1 is a novel Allosteric Inhibitor of Caspase-6 Activation, blocking the interaction between C6 and mHTT1-586.
Smiles
C(C1=C(O)N=C(C#CC2=CC=CC=C2)OC1=O)C3=CC=CC=C3
Molecular Formula
C19H13NO3
Molecular Weight
303.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-Benzyl-4-hydroxy-2-(phenylethynyl)-6h-1,3-oxazin-6-one
CAS Number1438463-77-4
PubChem CID136843770
IUPAC Name5-benzyl-4-hydroxy-2-(2-phenylethynyl)-1,3-oxazin-6-one
Molecular FormulaC19H13NO3
Molecular Weight303.3
XLogP3.9
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity578
SMILES
C1=CC=C(C=C1)CC2=C(N=C(OC2=O)C#CC3=CC=CC=C3)O
InChI
InChI=1S/C19H13NO3/c21-18-16(13-15-9-5-2-6-10-15)19(22)23-17(20-18)12-11-14-7-3-1-4-8-14/h1-10,21H,13H2
InChIKey
PVCBFFMVNVSMFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Benzyl-4-hydroxy-2-(phenylethynyl)-6h-1,3-oxazin-6-one
CAS: 1438463-77-4
CID: 136843770
Formula: C19H13NO3
MW: 303.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight303.3
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass303.08954328
Monoisotopic Mass303.08954328
Topological Polar Surface Area58.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity578
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