PBD150

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2
Total Number of Articles : 2
PubChem 6539196
Molecular Formula

C15H20N4O2S

SMILES

COC1=C(C=C(C=C1)NC(=S)NCCCN2C=CN=C2)OC

InChI

InChI=1S/C15H20N4O2S/c1-20-13-5-4-12(10-14(13)21-2)18-15(22)17-6-3-8-19-9-7-16-11-19/h4-5,7,9-11H,3,6,8H2,1-2H3,(H2,17,18,22)

synonyms
  • 790663-33-1
  • PBD-150
  • PBD150
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Properties
Property Value
MW 320.4 g/mol
HBD 2
HBA 4
Rotatable Bond Count 7
Exact Mass 320.13069707 g/mol
Monoisotopic Mass 320.13069707 g/mol
Heavy Atom Count 22
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 346
xlogp 1.5
Topological Polar Surface Area 92.4