LSM-12309 (CHEBI:100936)

CHEBI:100936 - LSM-12309

Formula	C20H25N3O3
Net Charge	0
Average Mass	355.438
Monoisotopic Mass	355.18959
SMILES	CC=Cc1ccc([C@H]2[C@@H](C#N)N(C(=O)CN3CCOCC3)[C@H]2CO)cc1
InChI	InChI=1S/C20H25N3O3/c1-2-3-15-4-6-16(7-5-15)20-17(12-21)23(18(20)14-24)19(25)13-22-8-10-26-11-9-22/h2-7,17-18,20,24H,8-11,13-14H2,1H3/t17-,18+,20+/m1/s1
InChIKey	KJLVFPZXKUGLPF-HBFSDRIKSA-N

ChEBI Ontology

Outgoing Relation(s)
	LSM-12309 (CHEBI:100936) is a azetidines (CHEBI:38777)
	LSM-12309 (CHEBI:100936) is a benzenes (CHEBI:22712)
	LSM-12309 (CHEBI:100936) is a ring assembly (CHEBI:36820)

Manual Xrefs	Databases
LSM-12309	LINCS