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CHEBI:755140 - defactinib hydrochloride

Default Structure
ChEBI IDCHEBI:755140
ChEBI Namedefactinib hydrochloride
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaHCl.C20H21F3N8O3S
Net Charge0
Average Mass546.963
Monoisotopic Mass546.11762
SMILESCNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3nccnc3N(C)S(C)(=O)=O)n2)cc1.Cl
InChIInChI=1S/C20H21F3N8O3S.ClH/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34;/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30);1H
InChIKeyRCHQNUQAHJNRBY-UHFFFAOYSA-N
Roles Classification
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
defactinib hydrochloride (CHEBI:755140) has role antineoplastic agent (CHEBI:35610)
defactinib hydrochloride (CHEBI:755140) is a benzamides (CHEBI:22702)
Synonyms  Source
Defactinib hydrochlorideChEMBL
VS-6063ChEMBL
VS-6063 HYDROCHLORIDEChEMBL