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1538566-76-5 | 6,7-bis(4-methylphenyl)-2-sulfanylpteridin-4-ol
CAS No: 1538566-76-5 Catalog No: AG01FOO6 MDL No:
Product Description
Catalog Number:
AG01FOO6
Chemical Name:
6,7-bis(4-methylphenyl)-2-sulfanylpteridin-4-ol
CAS Number:
1538566-76-5
IUPAC Name:
6,7-bis(4-methylphenyl)-2-sulfanylidene-1H-pteridin-4-one
InChI:
InChI=1S/C20H16N4OS/c1-11-3-7-13(8-4-11)15-16(14-9-5-12(2)6-10-14)22-18-17(21-15)19(25)24-20(26)23-18/h3-10H,1-2H3,(H2,22,23,24,25,26)
InChI Key:
HBJUKOYWXMGRTF-UHFFFAOYSA-N
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.104g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
360.435g/mol
Monoisotopic Mass:
360.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Discovery of HIV-1 integrase inhibitors: pharmacophore mapping, virtual screening, molecular docking, synthesis, and biological evaluation. | Chemical biology & drug design 20140201 |
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