CHEBI:101134 - LSM-12503

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-12503
ChEBI ID CHEBI:101134
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H26FN3O3
Net Charge 0
Average Mass 411.470
Monoisotopic Mass 411.19582
InChI InChI=1S/C23H26FN3O3/c1-26-19-11-27-18(10-9-16(23(27)30)13-5-7-14(24)8-6-13)21(26)20(17(19)12-28)22(29)25-15-3-2-4-15/h5-10,15,17,19-21,28H,2-4,11-12H2,1H3,(H,25,29)/t17-,19-,20+,21+/m1/s1
InChIKey JCKMTOKPWGTWPB-PBASOCQRSA-N
SMILES CN1[C@@H]2CN3C(=CC=C(C3=O)C4=CC=C(C=C4)F)[C@H]1[C@H]([C@@H]2CO)C(=O)NC5CCC5
ChEBI Ontology
Outgoing LSM-12503 (CHEBI:101134) is a phenylpyridine (CHEBI:38193)
Manual Xref Database
LSM-12503 LINCS
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