Molecule ID: 448949

IUPAC Name: 6-bromo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol

Description: The molecule is a member of the class of biindoles that is indirubin substituted at position 6 by a bromo group and in which the keto group at position 3' has undergone condensation with hydroxylamine to form the corresponding oxime. It has a role as an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor and an EC 2.7.11.26 (tau-protein kinase) inhibitor. It is a ketoxime, an organobromine compound, a member of oxindoles and a biindole.

SMILES: O=Nc1c(-c2c(O)[nH]c3cc(Br)ccc23)[nH]c2ccccc12

SELFIES: [O][=N][C][=C][Branch2][Ring1][Ring2][C][=C][Branch1][C][O][NH1][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][O][Ring1][#Branch1][NH1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1]

InChI: InChI=1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18-19,21H

Molecular Properties:
- Polar Surface Area: 81.2 Ų
- LogP: 3.9