k120

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 13
Total Number of Articles : 13
PubChem 467834
Molecular Formula

C28H32N6O5S

SMILES

COC1=CC(=CC(=C1OCCCNC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)N)OC)CC4=CN=C(N=C4N)N

InChI

InChI=1S/C28H32N6O5S/c1-37-24-15-18(14-19-17-33-28(31)34-27(19)30)16-25(38-2)26(24)39-13-3-12-32-21-6-10-23(11-7-21)40(35,36)22-8-4-20(29)5-9-22/h4-11,15-17,32H,3,12-14,29H2,1-2H3,(H4,30,31,33,34)

synonyms
  • SCHEMBL3070881
  • K120
  • PD163698
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Properties
Property Value
MW 564.7 g/mol
HBD 4
HBA 11
Rotatable Bond Count 12
Exact Mass 564.21548932 g/mol
Monoisotopic Mass 564.21548932 g/mol
Heavy Atom Count 40
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 833
xlogp 3.1
Topological Polar Surface Area 186