CHEBI:101290 - LSM-12656

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-12656
ChEBI ID CHEBI:101290
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/c29-20-5-1-3-18(11-20)12-31-27(35)25-22(16-34)24-15-33-23(26(25)32(24)14-17-6-7-17)9-8-21(28(33)36)19-4-2-10-30-13-19/h1-5,8-11,13,17,22,24-26,34H,6-7,12,14-16H2,(H,31,35)/t22-,24-,25+,26+/m0/s1
InChIKey BFDAKIJRIQBPOO-ADXHGGABSA-N
SMILES C1CC1CN2[C@H]3CN4C(=CC=C(C4=O)C5=CN=CC=C5)[C@@H]2[C@@H]([C@H]3CO)C(=O)NCC6=CC(=CC=C6)F
ChEBI Ontology
Outgoing LSM-12656 (CHEBI:101290) is a bipyridines (CHEBI:50511)
Manual Xref Database
LSM-12656 LINCS
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