CHEBI:102557 - LSM-13904

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ChEBI Name LSM-13904
ChEBI ID CHEBI:102557
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H29FN4O3
Net Charge 0
Average Mass 488.554
Monoisotopic Mass 488.22237
InChI InChI=1S/C28H29FN4O3/c29-22-6-2-1-5-19(22)20-9-10-23-26-25(27(35)31-13-17-7-8-17)21(16-34)24(15-33(23)28(20)36)32(26)14-18-4-3-11-30-12-18/h1-6,9-12,17,21,24-26,34H,7-8,13-16H2,(H,31,35)/t21-,24-,25+,26+/m0/s1
InChIKey PGXATXJTQODNDY-DTGGKOQTSA-N
SMILES C1CC1CNC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CC=CC=C5F)[C@H]2N3CC6=CN=CC=C6)CO
ChEBI Ontology
Outgoing LSM-13904 (CHEBI:102557) is a phenylpyridine (CHEBI:38193)
Manual Xref Database
LSM-13904 LINCS
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