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CHEBI:94490 - danusertib

Default Structure
ChEBI IDCHEBI:94490
ChEBI Namedanusertib
Stars
Last Modified18 May 2026
DownloadsMolfile
FormulaC26H30N6O3
Net Charge0
Average Mass474.565
Monoisotopic Mass474.23794
SMILESCO[C@@H](C(=O)N1Cc2nnc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1
InChIInChI=1S/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1
InChIKeyXKFTZKGMDDZMJI-HSZRJFAPSA-N
ChEBI Ontology
Outgoing Relation(s)
danusertib (CHEBI:94490) is a piperazines (CHEBI:26144)
IUPAC Name 
N-{5-[(2R)-2-methoxy-2-phenylacetyl]-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl}-4-(4-methylpiperazin-1-yl)benzamide
INNs  Source
danusertibWHO MedNet
danusertibWHO MedNet
danusertibWHO MedNet
danusertibumWHO MedNet
Synonyms  Source
PHA 739358ChEBI
PHA-739358ChEBI
PHA739358ChEBI
Manual XrefsDatabases
DB11778DrugBank
LSM-5253LINCS
Registry NumbersSources
CAS:827318-97-8ChEBI