edicotinib hydrochloride (CHEBI:756731)

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CHEBI:756731 - edicotinib hydrochloride

Formula	HCl.C27H35N5O2
Net Charge	0
Average Mass	498.071
Monoisotopic Mass	497.25575
SMILES	CC1(C)CC=C(c2nc(C3CC(C)(C)OC(C)(C)C3)ccc2NC(=O)c2ncc(C#N)n2)CC1.Cl
InChI	InChI=1S/C27H35N5O2.ClH/c1-25(2)11-9-17(10-12-25)22-21(32-24(33)23-29-16-19(15-28)30-23)8-7-20(31-22)18-13-26(3,4)34-27(5,6)14-18;/h7-9,16,18H,10-14H2,1-6H3,(H,29,30)(H,32,33);1H
InChIKey	GDFIUUZLRLJTSJ-UHFFFAOYSA-N

ChEBI Ontology

Outgoing Relation(s)
	edicotinib hydrochloride (CHEBI:756731) is a chloropyridine (CHEBI:39173)