CHEBI:100672 - LSM-12046

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-12046
ChEBI ID CHEBI:100672
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H23FN2O5
Net Charge 0
Average Mass 414.428
Monoisotopic Mass 414.15910
InChI InChI=1S/C22H23FN2O5/c1-3-18(27)25-17-10-24-16(20(25)19(15(17)11-26)22(29)30-2)9-8-14(21(24)28)12-4-6-13(23)7-5-12/h4-9,15,17,19-20,26H,3,10-11H2,1-2H3/t15-,17-,19+,20+/m0/s1
InChIKey HISNYEFWMKAJQA-SMMRIJLZSA-N
SMILES CCC(=O)N1[C@H]2CN3C(=CC=C(C3=O)C4=CC=C(C=C4)F)[C@@H]1[C@@H]([C@H]2CO)C(=O)OC
ChEBI Ontology
Outgoing LSM-12046 (CHEBI:100672) is a phenylpyridine (CHEBI:38193)
Manual Xref Database
LSM-12046 LINCS
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