asp-4058 (CHEBI:756844)

CHEBI:756844 - asp-4058

Formula	C19H12F6N4O2
Net Charge	0
Average Mass	442.319
Monoisotopic Mass	442.08644
SMILES	C[C@H](Oc1ccc(-c2nc(-c3ccc4ncnc4c3)no2)cc1C(F)(F)F)C(F)(F)F
InChI	InChI=1S/C19H12F6N4O2/c1-9(18(20,21)22)30-15-5-3-11(6-12(15)19(23,24)25)17-28-16(29-31-17)10-2-4-13-14(7-10)27-8-26-13/h2-9H,1H3,(H,26,27)/t9-/m0/s1
InChIKey	NJNXCJPSMWKXHO-VIFPVBQESA-N

ChEBI Ontology

Outgoing Relation(s)
	asp-4058 (CHEBI:756844) is a oxadiazole (CHEBI:46685)
	asp-4058 (CHEBI:756844) is a ring assembly (CHEBI:36820)

Synonyms	Source
Asp-4058	ChEMBL
ASP4058	ChEMBL

Citations