CHEBI:101426 - LSM-12789

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ChEBI Name LSM-12789
ChEBI ID CHEBI:101426
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H35N3O3
Net Charge 0
Average Mass 497.629
Monoisotopic Mass 497.26784
InChI InChI=1S/C31H35N3O3/c35-20-25-27-19-34-26(16-15-24(31(34)37)22-11-5-2-6-12-22)29(28(25)30(36)32-23-13-7-8-14-23)33(27)18-17-21-9-3-1-4-10-21/h1-6,9-12,15-16,23,25,27-29,35H,7-8,13-14,17-20H2,(H,32,36)/t25-,27-,28+,29+/m1/s1
InChIKey BONPOAJFWRGMIG-RXIOLPMVSA-N
SMILES C1CCC(C1)NC(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CC=CC=C5)[C@@H]2N3CCC6=CC=CC=C6)CO
ChEBI Ontology
Outgoing LSM-12789 (CHEBI:101426) is a phenylpyridine (CHEBI:38193)
Manual Xref Database
LSM-12789 LINCS
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