defactinib (CHEBI:755159)

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CHEBI:755159 - defactinib

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ChEBI ID	CHEBI:755159
ChEBI Name	defactinib
Stars
Last Modified	29 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	C20H21F3N8O3S
Net Charge	0
Average Mass	510.502
Monoisotopic Mass	510.14094
SMILES	CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3nccnc3N(C)S(C)(=O)=O)n2)cc1
InChI	InChI=1S/C20H21F3N8O3S/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)
InChIKey	FWLMVFUGMHIOAA-UHFFFAOYSA-N

Roles Classification

antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	defactinib (CHEBI:755159) has role antineoplastic agent (CHEBI:35610)
	defactinib (CHEBI:755159) is a benzamides (CHEBI:22702)

INN	Source
defactinib	WHO MedNet

Synonym	Source
PF-04554878	ChEMBL

Citations