CHEBI:177770 - Ganetespib

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Ganetespib
ChEBI ID CHEBI:177770
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H20N4O3
Net Charge 0
Average Mass 364.405
Monoisotopic Mass 364.15354
InChI InChI=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)
InChIKey RVAQIUULWULRNW-UHFFFAOYSA-N
SMILES OC1=C(C(C)C)C=C(C=2N(C3=CC4=C(N(C=C4)C)C=C3)C(=O)NN2)C(O)=C1
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
28189074 ChemSpider
D10126 KEGG DRUG
DB12047 KEGG DRUG
LSM-45281 LINCS
TUH PDBeChem
View more database links
Registry Number Type Source
888216-25-9 CAS Registry Number ChemIDplus