Molecule ID: 6538897

IUPAC Name: 14-bromo-3,8,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12(17),13,15-heptaen-9-one

Description: The molecule is an organic heterotetracyclic compound that is 7,12-dihydropyrido[3',2':2,3]azepino[4,5-b]indole substituted at positions 6 and 9 by oxo and bromo groups respectively. It has a role as an EC 2.7.11.26 (tau-protein kinase) inhibitor and a Wnt signalling activator. It is an organic heterotetracyclic compound, an organonitrogen heterocyclic compound, a lactam and an organobromine compound.

SMILES: OC1=Nc2cccnc2-c2[nH]c3ccc(Br)cc3c2C1

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

InChI: InChI=1S/C15H10BrN3O/c16-8-3-4-11-9(6-8)10-7-13(20)18-12-2-1-5-17-15(12)14(10)19-11/h1-6,19H,7H2,(H,18,20)

Molecular Properties:
- Polar Surface Area: 57.8 Ų
- LogP: 2.2