CHEBI:100733 - LSM-12107

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-12107
ChEBI ID CHEBI:100733
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H24FN3O4
Net Charge 0
Average Mass 449.475
Monoisotopic Mass 449.17508
InChI InChI=1S/C25H24FN3O4/c1-33-25(32)22-19(14-30)21-13-29-20(23(22)28(21)12-15-3-2-10-27-11-15)9-8-18(24(29)31)16-4-6-17(26)7-5-16/h2-11,19,21-23,30H,12-14H2,1H3/t19-,21-,22+,23+/m0/s1
InChIKey VJGVMCSFSOLAAN-KZKAQZJJSA-N
SMILES COC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CC=C(C=C4)F)[C@H]1N2CC5=CN=CC=C5)CO
ChEBI Ontology
Outgoing LSM-12107 (CHEBI:100733) is a phenylpyridine (CHEBI:38193)
Manual Xref Database
LSM-12107 LINCS
View more database links