Molecule ID: 8515

IUPAC Name: 14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-8-one

Description: The molecule is a member of the class of anthrapyrazoles that is anthra[1,9-cd]pyrazole substituted at position 6 by an oxo group. An inhibitor of c-Jun N-terminal kinase. It has a role as a c-Jun N-terminal kinase inhibitor. It is an anthrapyrazole, a cyclic ketone and an aromatic ketone.

SMILES: O=C1c2ccccc2-c2n[nH]c3cccc1c23

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

InChI: InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7H,(H,15,16)

Molecular Properties:
- Polar Surface Area: 45.8 Ų
- LogP: 2.7