jab-3068 (CHEBI:758766)

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CHEBI:758766 - jab-3068

Formula	C22H26F2N6O2S
Net Charge	0
Average Mass	476.553
Monoisotopic Mass	476.18060
SMILES	CC(=O)N1CC(F)(F)c2c(Sc3ncc(N4CCC5(CC4)COC[C@H]5N)nc3N)cccc21
InChI	InChI=1S/C22H26F2N6O2S/c1-13(31)30-11-22(23,24)18-14(30)3-2-4-15(18)33-20-19(26)28-17(9-27-20)29-7-5-21(6-8-29)12-32-10-16(21)25/h2-4,9,16H,5-8,10-12,25H2,1H3,(H2,26,28)/t16-/m1/s1
InChIKey	HGYTYZKWKUXRKA-MRXNPFEDSA-N

ChEBI Ontology

Outgoing Relation(s)
	jab-3068 (CHEBI:758766) is a aryl sulfide (CHEBI:35683)

Citations