CHEBI:100684 - LSM-12058

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ChEBI Name LSM-12058
ChEBI ID CHEBI:100684
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H36N4O4
Net Charge 0
Average Mass 492.611
Monoisotopic Mass 492.27366
InChI InChI=1S/C28H36N4O4/c1-30(2)14-6-13-29-27(35)25-21(17-33)23-16-31-22(26(25)32(23)24(34)15-18-9-10-18)12-11-20(28(31)36)19-7-4-3-5-8-19/h3-5,7-8,11-12,18,21,23,25-26,33H,6,9-10,13-17H2,1-2H3,(H,29,35)/t21-,23-,25+,26+/m0/s1
InChIKey ZADPRABAISSLKD-AAOIWRJWSA-N
SMILES CN(C)CCCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4)[C@H]1N2C(=O)CC5CC5)CO
ChEBI Ontology
Outgoing LSM-12058 (CHEBI:100684) is a phenylpyridine (CHEBI:38193)
Manual Xref Database
LSM-12058 LINCS
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