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CHEBI:42370 - 1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-3-YL)METHYL]THIO}METHYL)PHENYL]-2,2,2-TRIFLUOROETHANE-1,1-DIOL

Default Structure
ChEBI IDCHEBI:42370
ChEBI Name1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-3-YL)METHYL]THIO}METHYL)PHENYL]-2,2,2-TRIFLUOROETHANE-1,1-DIOL
Stars
DownloadsMolfile
FormulaC20H18F4N2O2S
Net Charge0
Average Mass426.435
Monoisotopic Mass426.10251
SMILES[H]OC(O[H])(c1c([H])c([H])c([H])c(C([H])([H])SC([H])([H])c2c(C([H])([H])[H])nc3c([H])c([H])c([H])c(F)c3c2N([H])[H])c1[H])C(F)(F)F
InChIInChI=1S/C20H18F4N2O2S/c1-11-14(18(25)17-15(21)6-3-7-16(17)26-11)10-29-9-12-4-2-5-13(8-12)19(27,28)20(22,23)24/h2-8,27-28H,9-10H2,1H3,(H2,25,26)
InChIKeyGPBGHVRNVGXPNM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-3-YL)METHYL]THIO}METHYL)PHENYL]-2,2,2-TRIFLUOROETHANE-1,1-DIOL (CHEBI:42370) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1-[3-({[(4-amino-5-fluoro-2-methylquinolin-3-yl)methyl]sulfanyl}methyl)phenyl]-2,2,2-trifluoroethane-1,1-diolPDBeChem
1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-3-YL)METHYL]THIO}METHYL)PHENYL]-2,2,2-TRIFLUOROETHANE-1,1-DIOLPDBeChem
Manual XrefsDatabases
FBQPDBeChem