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1538566-78-7

1538566-78-7 | 6,7-bis(3-methoxyphenyl)-2-sulfanylpteridin-4-ol

CAS No: 1538566-78-7 Catalog No: AG01FOO7 MDL No:

Product Description

Catalog Number:
AG01FOO7
Chemical Name:
6,7-bis(3-methoxyphenyl)-2-sulfanylpteridin-4-ol
CAS Number:
1538566-78-7
IUPAC Name:
6,7-bis(3-methoxyphenyl)-2-sulfanylidene-1H-pteridin-4-one
InChI:
InChI=1S/C20H16N4O3S/c1-26-13-7-3-5-11(9-13)15-16(12-6-4-8-14(10-12)27-2)22-18-17(21-15)19(25)24-20(28)23-18/h3-10H,1-2H3,(H2,22,23,24,25,28)
InChI Key:
MPYMQBUJNQWYFW-UHFFFAOYSA-N

Properties

Complexity:
592  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.094g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
392.433g/mol
Monoisotopic Mass:
392.094g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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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