Molecule ID: 11554659

IUPAC Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-2-methylbenzamide

Description: The molecule is a member of the class of quinolines that acts as a receptor tyrosine kinase inhibitor and apoptosis inducer with potential for use in treatment of leukemia and colorectal cancer. It has a role as an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor, an apoptosis inducer and an antineoplastic agent. It is a member of quinolines, a member of thioureas, an aromatic ether and a member of benzamides.

SMILES: COc1cc2nccc(Oc3ccc(NC(=S)N=C(O)c4ccccc4C)cc3)c2cc1OC

SELFIES: [C][O][C][=C][C][=N][C][=C][C][Branch2][Ring1][P][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=S][N][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][=C][O][C]

InChI: InChI=1S/C26H23N3O4S/c1-16-6-4-5-7-19(16)25(30)29-26(34)28-17-8-10-18(11-9-17)33-22-12-13-27-21-15-24(32-3)23(31-2)14-20(21)22/h4-15H,1-3H3,(H2,28,29,30,34)

Molecular Properties:
- Polar Surface Area: 114.0 Ų
- LogP: 5.6