EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:47637 - {4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4-BROMOPHENYL)METHANONE

Default Structure
ChEBI IDCHEBI:47637
ChEBI Name{4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4-BROMOPHENYL)METHANONE
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC24H26BrNO2
Net Charge0
Average Mass440.381
Monoisotopic Mass439.11469
SMILES[H]C([H])=C([H])C([H])([H])N(C1([H])C([H])([H])C1([H])[H])C([H])([H])[C@@]1([H])C([H])([H])[C@]1([H])C([H])([H])Oc1c([H])c([H])c(C(=O)c2c([H])c([H])c(Br)c([H])c2[H])c([H])c1[H]
InChIInChI=1S/C24H26BrNO2/c1-2-13-26(22-9-10-22)15-19-14-20(19)16-28-23-11-5-18(6-12-23)24(27)17-3-7-21(25)8-4-17/h2-8,11-12,19-20,22H,1,9-10,13-16H2/t19-,20-/m1/s1
InChIKeyICPGWJRDLWZVKA-WOJBJXKFSA-N
ChEBI Ontology
Outgoing Relation(s)
{4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4-BROMOPHENYL)METHANONE (CHEBI:47637) is a unclassifieds (CHEBI:27189)
Synonyms  Source
{4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4-BROMOPHENYL)METHANONEPDBeChem
(4-bromophenyl)(4-{[(1S,2S)-2-{[cyclopropyl(prop-2-en-1-yl)amino]methyl}cyclopropyl]methoxy}phenyl)methanonePDBeChem
Manual XrefsDatabases
R02PDBeChem