CHEBI:101311 - LSM-12677

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ChEBI Name LSM-12677
ChEBI ID CHEBI:101311
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H35N3O5
Net Charge 0
Average Mass 505.606
Monoisotopic Mass 505.25767
InChI InChI=1S/C29H35N3O5/c1-31-19-26-25(35-3)13-12-23(37-26)14-15-36-28-21(17-30)10-7-11-24(28)29(34)32(2)18-22(16-27(31)33)20-8-5-4-6-9-20/h4-11,22-23,25-26H,12-16,18-19H2,1-3H3/t22-,23+,25+,26-/m0/s1
InChIKey DIIJYNJFSHJSFY-JMQONQOQSA-N
SMILES CN1C[C@H]2[C@@H](CC[C@@H](O2)CCOC3=C(C=CC=C3C(=O)N(C[C@H](CC1=O)C4=CC=CC=C4)C)C#N)OC
ChEBI Ontology
Outgoing LSM-12677 (CHEBI:101311) is a azamacrocycle (CHEBI:52898)
LSM-12677 (CHEBI:101311) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-12677 LINCS
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