CHEBI:62878 - XAV939

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ChEBI Name XAV939 ChEBI ID CHEBI:62878 Definition A thiopyranopyrimidine in which a 7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine skeleton is substituted at C-4 by a hydroxy group and at C-2 by a para-(trifluoromethyl)phenyl group. Stars This entity has been manually annotated by the ChEBI Team. Submitter Margaret Duesbury Supplier Information No supplier information found for this compound. Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C14H11F3N2OS Net Charge 0 Average Mass 312.31000 Monoisotopic Mass 312.05442 InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20) InChIKey KLGQSVMIPOVQAX-UHFFFAOYSA-N SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F Roles Classification Biological Role(s): tankyrase inhibitor Any compound that inhibits the action of tankyrase. View more via ChEBI Ontology ChEBI Ontology Outgoing XAV939 (CHEBI:62878) has role tankyrase inhibitor (CHEBI:62887) XAV939 (CHEBI:62878) is a (trifluoromethyl)benzenes (CHEBI:83565) XAV939 (CHEBI:62878) is a thiopyranopyrimidine (CHEBI:62886) IUPAC Name 2-(4-(trifluoromethyl)phenyl)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol Synonym Source 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-thiino[4,3-d]pyrimidin-4-ol IUPAC Manual Xref Database LSM-5303 LINCS View more database links Registry Number Type Source 20421945 Reaxys Registry Number Reaxys Citations Last Modified 25 February 2016