CHEBI:101027 - LSM-12400

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ChEBI Name LSM-12400
ChEBI ID CHEBI:101027
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H32FN3O4
Net Charge 0
Average Mass 493.571
Monoisotopic Mass 493.23768
InChI InChI=1S/C28H32FN3O4/c29-21-10-3-2-9-18(21)19-11-12-22-25-24(28(36)30-13-4-1-5-14-30)20(16-33)23(15-31(22)27(19)35)32(25)26(34)17-7-6-8-17/h2-3,9-12,17,20,23-25,33H,1,4-8,13-16H2/t20-,23-,24+,25+/m1/s1
InChIKey FMCRALLOZMCEMF-GATIMQMVSA-N
SMILES C1CCN(CC1)C(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CC=CC=C5F)[C@@H]2N3C(=O)C6CCC6)CO
ChEBI Ontology
Outgoing LSM-12400 (CHEBI:101027) is a phenylpyridine (CHEBI:38193)
Manual Xref Database
LSM-12400 LINCS
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