ro-4987655 (CHEBI:749897)

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CHEBI:749897 - ro-4987655

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ChEBI ID	CHEBI:749897
ChEBI Name	ro-4987655
Stars
Last Modified	29 June 2026
Submitter	ChEMBL
Downloads	Molfile

Formula	C20H19F3IN3O5
Net Charge	0
Average Mass	565.286
Monoisotopic Mass	565.03215
SMILES	O=C(NOCCO)c1cc(CN2OCCCC2=O)c(F)c(F)c1Nc1ccc(I)cc1F
InChI	InChI=1S/C20H19F3IN3O5/c21-14-9-12(24)3-4-15(14)25-19-13(20(30)26-31-7-5-28)8-11(17(22)18(19)23)10-27-16(29)2-1-6-32-27/h3-4,8-9,25,28H,1-2,5-7,10H2,(H,26,30)
InChIKey	FIMYFEGKMOCQKT-UHFFFAOYSA-N

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	ro-4987655 (CHEBI:749897) has role antineoplastic agent (CHEBI:35610)
	ro-4987655 (CHEBI:749897) is a carbonyl compound (CHEBI:36586)
	ro-4987655 (CHEBI:749897) is a organohalogen compound (CHEBI:17792)

Synonyms	Source
CH-4987655	ChEMBL
Ro 4987655	ChEMBL
Ro-4987655	ChEMBL
RO4987655	ChEMBL

Citations