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Inauhzin 10mg

CAT: 0628-A12527-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A12527-10Size:10 mg
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CAS Number
309271-94-1

Chemical Information

Inauzhin

a SIRT1 inhibitor

CAS Number309271-94-1
PubChem CID5494506
IUPAC Name1-phenothiazin-10-yl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butan-1-one
Molecular FormulaC25H19N5OS2
Molecular Weight469.6
XLogP5.6
Topological Polar Surface Area125
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity690
SMILES
CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)SC4=NC5=C(C6=CC=CC=C6N5)N=N4
InChI
InChI=1S/C25H19N5OS2/c1-2-19(33-25-27-23-22(28-29-25)15-9-3-4-10-16(15)26-23)24(31)30-17-11-5-7-13-20(17)32-21-14-8-6-12-18(21)30/h3-14,19H,2H2,1H3,(H,26,27,29)
InChIKey
VHUOXERIKQWIJE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Inauzhin
CAS: 309271-94-1
CID: 5494506
Formula: C25H19N5OS2
MW: 469.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.6
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass469.10310259
Monoisotopic Mass469.10310259
Topological Polar Surface Area125 Ų
Heavy Atom Count33
Formal Charge0
Complexity690
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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