Ro 31-8220

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 228
Total Number of Articles : 294
PubChem 5083
Molecular Formula

C25H23N5O2S

SMILES

CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCSC(=N)N

InChI

InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32)

synonyms
  • bisindolylmaleimide IX
  • ro 31-8220
  • 125314-64-9
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Properties
Property Value
MW 457.5 g/mol
HBD 3
HBA 4
Rotatable Bond Count 7
Exact Mass 457.15724617 g/mol
Monoisotopic Mass 457.15724617 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 845
xlogp 3
Topological Polar Surface Area 131