LSM-39678 (CHEBI:128123)

CHEBI:128123 - LSM-39678

Formula	C22H31N3OS
Net Charge	0
Average Mass	385.577
Monoisotopic Mass	385.21878
SMILES	CC=Cc1ccc([C@@H]2[C@@H](CO)N(c3nc(CC)cs3)[C@@H]2CNC(C)C)cc1
InChI	InChI=1S/C22H31N3OS/c1-5-7-16-8-10-17(11-9-16)21-19(12-23-15(3)4)25(20(21)13-26)22-24-18(6-2)14-27-22/h5,7-11,14-15,19-21,23,26H,6,12-13H2,1-4H3/t19-,20-,21+/m1/s1
InChIKey	JGSPVHKLUFJULS-NJYVYQBISA-N

ChEBI Ontology

Outgoing Relation(s)
	LSM-39678 (CHEBI:128123) is a azetidines (CHEBI:38777)
	LSM-39678 (CHEBI:128123) is a benzenes (CHEBI:22712)
	LSM-39678 (CHEBI:128123) is a ring assembly (CHEBI:36820)

Manual Xrefs	Databases
LSM-39678	LINCS