CHEBI:131081 - LSM-42629

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ChEBI Name LSM-42629
ChEBI ID CHEBI:131081
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/c1-31-14-13-23-10-12-26(35-3)27(37-23)19-36-25-11-9-20(17-30)15-24(25)29(34)32(2)18-22(16-28(31)33)21-7-5-4-6-8-21/h4-9,11,15,22-23,26-27H,10,12-14,16,18-19H2,1-3H3/t22-,23-,26+,27-/m0/s1
InChIKey ZJDDJVCOZFKVQY-IDJLGEMNSA-N
SMILES CN1CC[C@@H]2CC[C@H]([C@@H](O2)COC3=C(C=C(C=C3)C#N)C(=O)N(C[C@H](CC1=O)C4=CC=CC=C4)C)OC
ChEBI Ontology
Outgoing LSM-42629 (CHEBI:131081) is a azamacrocycle (CHEBI:52898)
LSM-42629 (CHEBI:131081) is a lactam (CHEBI:24995)
Manual Xref Database
LSM-42629 LINCS
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