EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:99311 - 3-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[4-morpholinyl(oxo)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide

ChEBI IDCHEBI:99311
ChEBI Name3-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[4-morpholinyl(oxo)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide
Stars
DownloadsMolfile
FormulaC33H40N4O5S
Net Charge0
Average Mass604.773
Monoisotopic Mass604.27194
SMILESCN(C)C(=O)c1cccc(-c2cccc(-c3nc(C(=O)N4CCOCC4)cc4c3[C@@H](CCO)N([S@](=O)C(C)(C)C)C4)c2)c1
InChIInChI=1S/C33H40N4O5S/c1-33(2,3)43(41)37-21-26-20-27(32(40)36-13-16-42-17-14-36)34-30(29(26)28(37)12-15-38)24-10-6-8-22(18-24)23-9-7-11-25(19-23)31(39)35(4)5/h6-11,18-20,28,38H,12-17,21H2,1-5H3/t28-,43-/m1/s1
InChIKeyFSDPWXFWDMXQOK-HOHRNCFUSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[4-morpholinyl(oxo)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide (CHEBI:99311) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-10690LINCS