CHEBI:99559 - LSM-10938

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-10938
ChEBI ID CHEBI:99559
Stars This entity has been manually annotated by a third party.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
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+/m1/s1
InChIKey PGXATXJTQODNDY-AFQFEXIYSA-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-10938 (CHEBI:99559) is a phenylpyridine (CHEBI:38193)
Manual Xref Database
LSM-10938 LINCS
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