Molecule ID: 135635230

IUPAC Name: 2-chloro-5-[[(5E)-5-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid

Description: The molecule is a member of the class of furans that in which the furan ring is substituted by a (2-amino-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl group at position 2 and a 4,5-dimethyl-2-nitrophenyl group at position 5, and i which the amino substituent of the thiazolone has been substituted by a 3-carboxy-4-chlorophenyl group. It is a direct activator of the alpha-subunit of AMP-activated protein kinase (5' adenosine monophosphate-activated protein kinase, AMPK). It has a role as a protein kinase agonist. It is a member of 1,3-thiazoles, a biaryl, a member of furans, a C-nitro compound, an aminobenzoic acid and a member of monochlorobenzenes.

SMILES: Cc1cc(-c2ccc(/C=C3/SC(=Nc4ccc(Cl)c(C(=O)O)c4)N=C3O)o2)c([N+](=O)[O-])cc1C

SELFIES: [C][C][=C][C][Branch2][Ring2][O][C][=C][C][=C][Branch2][Ring1][S][/C][=C][/S][C][=Branch2][Ring1][Ring2][=N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2][N][=C][Ring1][S][O][O][Ring2][Ring1][#Branch1][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring2][Ring1][S][C]

InChI: InChI=1S/C23H16ClN3O6S/c1-11-7-16(18(27(31)32)8-12(11)2)19-6-4-14(33-19)10-20-21(28)26-23(34-20)25-13-3-5-17(24)15(9-13)22(29)30/h3-10H,1-2H3,(H,29,30)(H,25,26,28)/b20-10+

Molecular Properties:
- Polar Surface Area: 163.0 Ų
- LogP: 5.5