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CHEBI:758598 - tak-020

Default Structure
ChEBI IDCHEBI:758598
ChEBI Nametak-020
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC18H17N5O3
Net Charge0
Average Mass351.366
Monoisotopic Mass351.13314
SMILESC=CC(=O)N1CC[C@H](Oc2nc(-c3nnc(=O)n3)cc3ccccc23)C1
InChIInChI=1S/C18H17N5O3/c1-2-15(24)23-8-7-12(10-23)26-17-13-6-4-3-5-11(13)9-14(19-17)16-20-18(25)22-21-16/h2-6,9,12H,1,7-8,10H2,(H2,20,21,22,25)/t12-/m0/s1
InChIKeyHIMUHMBGRATXMK-LBPRGKRZSA-N
ChEBI Ontology
Outgoing Relation(s)
tak-020 (CHEBI:758598) is a ring assembly (CHEBI:36820)
tak-020 (CHEBI:758598) is a triazoles (CHEBI:35727)
Synonym  Source
Tak-020ChEMBL
Citations