CHEBI:101584 - LSM-12947

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-12947
ChEBI ID CHEBI:101584
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H31N3O5
Net Charge 0
Average Mass 429.510
Monoisotopic Mass 429.22637
InChI InChI=1S/C23H31N3O5/c1-15-13-25(2)23(28)18-7-5-6-16(12-24)21(18)30-11-10-17-8-9-19(29-4)20(31-17)14-26(3)22(15)27/h5-7,15,17,19-20H,8-11,13-14H2,1-4H3/t15-,17-,19-,20+/m1/s1
InChIKey WNHZFTQVONQUSH-QOJCHSLYSA-N
SMILES C[C@@H]1CN(C(=O)C2=CC=CC(=C2OCC[C@H]3CC[C@H]([C@@H](O3)CN(C1=O)C)OC)C#N)C
ChEBI Ontology
Outgoing LSM-12947 (CHEBI:101584) is a azamacrocycle (CHEBI:52898)
LSM-12947 (CHEBI:101584) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-12947 LINCS
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