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CHEBI:91379 - 1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]-4-piperidinol

ChEBI IDCHEBI:91379
ChEBI Name1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]-4-piperidinol
Stars
DownloadsMolfile
FormulaC28H33N5O4S
Net Charge0
Average Mass535.670
Monoisotopic Mass535.22533
SMILESCOc1cc(N2CCC(O)CC2)ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c2ccnc2n1
InChIInChI=1S/C28H33N5O4S/c1-18(2)38(35,36)26-7-5-4-6-23(26)30-24-17-27(32-28-21(24)10-13-29-28)31-22-9-8-19(16-25(22)37-3)33-14-11-20(34)12-15-33/h4-10,13,16-18,20,34H,11-12,14-15H2,1-3H3,(H3,29,30,31,32)
InChIKeyNMJMRSQTDLRCRQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]-4-piperidinol (CHEBI:91379) is a piperidines (CHEBI:26151)
Manual XrefsDatabases
LSM-1105LINCS