LSM-11806 (CHEBI:100431)

CHEBI:100431 - LSM-11806

Formula	C19H21N3OS
Net Charge	0
Average Mass	339.464
Monoisotopic Mass	339.14053
SMILES	CC=Cc1ccc([C@H]2[C@@H](C#N)N(c3nc(CC)cs3)[C@@H]2CO)cc1
InChI	InChI=1S/C19H21N3OS/c1-3-5-13-6-8-14(9-7-13)18-16(10-20)22(17(18)11-23)19-21-15(4-2)12-24-19/h3,5-9,12,16-18,23H,4,11H2,1-2H3/t16-,17-,18+/m1/s1
InChIKey	SLFKQKCTISPXPS-KURKYZTESA-N

ChEBI Ontology

Outgoing Relation(s)
	LSM-11806 (CHEBI:100431) is a azetidines (CHEBI:38777)
	LSM-11806 (CHEBI:100431) is a benzenes (CHEBI:22712)
	LSM-11806 (CHEBI:100431) is a ring assembly (CHEBI:36820)

Manual Xrefs	Databases
LSM-11806	LINCS