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CHEBI:230508 - birabresib

Default Structure
ChEBI IDCHEBI:230508
ChEBI Namebirabresib
Stars
DefinitionBirabresib (OTX-015) is a potent bromodomain (BRD2/3/4) inhibitor.
Submitterdelphine
DownloadsMolfile
FormulaC25H22ClN5O2S
Net Charge0
Average Mass492.004
Monoisotopic Mass491.11827
SMILESCc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)Nc1ccc(O)cc1)c1nnc(C)n1-2
InChIInChI=1S/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)/t20-/m0/s1
InChIKeyGNMUEVRJHCWKTO-FQEVSTJZSA-N
ChEBI Ontology
Outgoing Relation(s)
birabresib (CHEBI:230508) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
MK-8628SUBMITTER
OTX-015SUBMITTER
OTX015SUBMITTER