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CHEBI:757900 - incb-057643

Default Structure
ChEBI IDCHEBI:757900
ChEBI Nameincb-057643
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC20H21N3O5S
Net Charge0
Average Mass415.471
Monoisotopic Mass415.12019
SMILESCN1C(=O)C(C)(C)Oc2c(-c3cn(C)c(=O)c4nccc34)cc(S(C)(=O)=O)cc21
InChIInChI=1S/C20H21N3O5S/c1-20(2)19(25)23(4)15-9-11(29(5,26)27)8-13(17(15)28-20)14-10-22(3)18(24)16-12(14)6-7-21-16/h6-10,21H,1-5H3
InChIKeyVZSAMEOETVNDQH-UHFFFAOYSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
incb-057643 (CHEBI:757900) has role antineoplastic agent (CHEBI:35610)
incb-057643 (CHEBI:757900) is a benzoxazine (CHEBI:46969)
Synonyms  Source
Incb-057643ChEMBL
INCB057643ChEMBL