Molecule ID: 56675920

IUPAC Name: 2-[6-(4-methylsulfanylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylacetic acid

Description: The molecule is a thienopyrimidine that is thieno[3,2-d]pyrimidine which is substituted by a (carboxymethyl)sulfanediyl group at position 4 and by a 4-(methylsulfanyl)phenyl group at position 6. It is a STK17B kinase inhibitor. It has a role as an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. It is a thienopyrimidine, an aryl sulfide, a monocarboxylic acid and a sulfur-containing carboxylic acid.

SMILES: CSc1ccc(-c2cc3ncnc(SCC(=O)O)c3s2)cc1

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

InChI: InChI=1S/C15H12N2O2S3/c1-20-10-4-2-9(3-5-10)12-6-11-14(22-12)15(17-8-16-11)21-7-13(18)19/h2-6,8H,7H2,1H3,(H,18,19)

Molecular Properties:
- Polar Surface Area: 142.0 Ų
- LogP: 3.9