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CHEBI:177770 - Ganetespib

ChEBI IDCHEBI:177770
ChEBI NameGanetespib
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20N4O3
Net Charge0
Average Mass364.405
Monoisotopic Mass364.15354
SMILESCC(C)c1cc(-c2nnc(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O
InChIInChI=1S/C20H20N4O3/c1-11(2)14-9-15(18(26)10-17(14)25)19-21-22-20(27)24(19)13-4-5-16-12(8-13)6-7-23(16)3/h4-11,25-26H,1-3H3,(H,22,27)
InChIKeyRVAQIUULWULRNW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Ganetespib (CHEBI:177770) is a ring assembly (CHEBI:36820)
Ganetespib (CHEBI:177770) is a triazoles (CHEBI:35727)
IUPAC Name 
3-(2,4-dihydroxy-5-propan-2-ylphenyl)-4-(1-methylindol-5-yl)-1H-1,2,4-triazol-5-one
Manual XrefsDatabases
TUHPDBeChem
D10126KEGG DRUG
LSM-45281LINCS
28189074ChemSpider
DB12047DrugBank
Registry NumbersSources
CAS:888216-25-9ChemIDplus