EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:39526 - 6-FLUORO-2-[2-HYDROXY-3-(2-METHYL-CYCLOHEXYLOXY)-PHENYL]-1H-INDOLE-5-CARBOXAMIDINE

Default Structure
ChEBI IDCHEBI:39526
ChEBI Name6-FLUORO-2-[2-HYDROXY-3-(2-METHYL-CYCLOHEXYLOXY)-PHENYL]-1H-INDOLE-5-CARBOXAMIDINE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC22H24FN3O2
Net Charge0
Average Mass381.451
Monoisotopic Mass381.18526
SMILES[H]/N=C(/c1c(F)c([H])c2c(c1[H])c([H])c(-c1c([H])c([H])c([H])c(O[C@@]3([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]3([H])C([H])([H])[H])c1O[H])n2[H])N([H])[H]
InChIInChI=1S/C22H24FN3O2/c1-12-5-2-3-7-19(12)28-20-8-4-6-14(21(20)27)18-10-13-9-15(22(24)25)16(23)11-17(13)26-18/h4,6,8-12,19,26-27H,2-3,5,7H2,1H3,(H3,24,25)/t12-,19-/m0/s1
InChIKeyHUYQYLFFFNSAAX-BUXKBTBVSA-N
ChEBI Ontology
Outgoing Relation(s)
6-FLUORO-2-[2-HYDROXY-3-(2-METHYL-CYCLOHEXYLOXY)-PHENYL]-1H-INDOLE-5-CARBOXAMIDINE (CHEBI:39526) is a unclassifieds (CHEBI:27189)
Synonyms  Source
6-fluoro-2-(2-hydroxy-3-{[(1S,2S)-2-methylcyclohexyl]oxy}phenyl)-1H-indole-5-carboximidamidePDBeChem
6-FLUORO-2-[2-HYDROXY-3-(2-METHYL-CYCLOHEXYLOXY)-PHENYL]-1H-INDOLE-5-CARBOXAMIDINEPDBeChem
Manual XrefsDatabases
134PDBeChem