EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:129602 - (3S)-4-(3-bromophenyl)-2-[(S)-tert-butylsulfinyl]-N-cyclohexyl-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide

ChEBI IDCHEBI:129602
ChEBI Name(3S)-4-(3-bromophenyl)-2-[(S)-tert-butylsulfinyl]-N-cyclohexyl-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
Stars
DownloadsMolfile
FormulaC26H34BrN3O3S
Net Charge0
Average Mass548.547
Monoisotopic Mass547.15043
SMILESCC(C)(C)[S@](=O)N1Cc2cc(C(=O)NC3CCCCC3)nc(-c3cccc(Br)c3)c2[C@@H]1CCO
InChIInChI=1S/C26H34BrN3O3S/c1-26(2,3)34(33)30-16-18-15-21(25(32)28-20-10-5-4-6-11-20)29-24(23(18)22(30)12-13-31)17-8-7-9-19(27)14-17/h7-9,14-15,20,22,31H,4-6,10-13,16H2,1-3H3,(H,28,32)/t22-,34-/m0/s1
InChIKeyGOUONEUIFNIXIX-RIPCNWKXSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-4-(3-bromophenyl)-2-[(S)-tert-butylsulfinyl]-N-cyclohexyl-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide (CHEBI:129602) is a phenylpyridine (CHEBI:38193)
Manual XrefsDatabases
LSM-41153LINCS