LSM-21545 (CHEBI:110118)

CHEBI:110118 - LSM-21545

Formula	C25H30FN3O4
Net Charge	0
Average Mass	455.530
Monoisotopic Mass	455.22203
SMILES	CC=Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)c1cccc(F)c1)O2
InChI	InChI=1S/C25H30FN3O4/c1-5-7-18-10-21-23(27-12-18)33-22(16(2)13-29(25(21)32)17(3)15-30)14-28(4)24(31)19-8-6-9-20(26)11-19/h5-12,16-17,22,30H,13-15H2,1-4H3/t16-,17-,22-/m1/s1
InChIKey	OYMACNCEHZXLLK-DRSNIGMVSA-N

ChEBI Ontology

Outgoing Relation(s)
	LSM-21545 (CHEBI:110118) is a carbonyl compound (CHEBI:36586)
	LSM-21545 (CHEBI:110118) is a organohalogen compound (CHEBI:17792)

Manual Xrefs	Databases
LSM-21545	LINCS