Molecule ID: 5494425

IUPAC Name: 4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one

Description: The molecule is an organic heterotetracyclic compound that is 1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one bearing additional tert-butyl and fluoro substituents at positions 2 and 9 respectively. It has a role as an EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor. It is an organic heterotetracyclic compound and an organofluorine compound.

SMILES: CC(C)(C)c1nc2c3ccc(F)cc3c3c(O)nccc3c2[nH]1

SELFIES: [C][C][Branch1][C][C][Branch1][C][C][C][=N][C][=C][C][=C][C][Branch1][C][F][=C][C][Ring1][#Branch1][=C][C][Branch1][C][O][=N][C][=C][C][Ring1][#Branch1][=C][Ring1][S][NH1][Ring2][Ring1][Ring1]

InChI: InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)

Molecular Properties:
- Polar Surface Area: 57.8 Ų
- LogP: 4.0