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309271-94-1 | 1-Butanone, 1-(10H-phenothiazin-10-yl)-2-(5H-1,2,4-triazino[5,6-b]indol-3-ylthio)-
CAS No: 309271-94-1 Catalog No: AG0031OA MDL No:MFCD01819836
Product Description
Catalog Number:
AG0031OA
Chemical Name:
1-Butanone, 1-(10H-phenothiazin-10-yl)-2-(5H-1,2,4-triazino[5,6-b]indol-3-ylthio)-
CAS Number:
309271-94-1
Molecular Formula:
C25H19N5OS2
Molecular Weight:
469.5813
MDL Number:
MFCD01819836
IUPAC Name:
1-phenothiazin-10-yl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butan-1-one
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)
InChI Key:
VHUOXERIKQWIJE-UHFFFAOYSA-N
SMILES:
CCC(C(=O)N1c2ccccc2Sc2c1cccc2)Sc1nnc2c(n1)[nH]c1c2cccc1
Properties
Complexity:
690
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
469.103g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
469.581g/mol
Monoisotopic Mass:
469.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
Literature
| Title | Journal |
|---|---|
| Sirtuin1 and autophagy protect cells from fluoride-induced cell stress. | Biochimica et biophysica acta 20140201 |
| Inauhzin and Nutlin3 synergistically activate p53 and suppress tumor growth. | Cancer biology & therapy 20120801 |
| A small molecule Inauhzin inhibits SIRT1 activity and suppresses tumour growth through activation of p53. | EMBO molecular medicine 20120401 |
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