CHEBI:101366 - LSM-12730

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-12730
ChEBI ID CHEBI:101366
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H31FN4O5
Net Charge 0
Average Mass 486.537
Monoisotopic Mass 486.22785
InChI InChI=1S/C25H31FN4O5/c1-14(2)28-25(34)30-20-12-29-19(8-7-17(24(29)33)15-5-4-6-16(26)11-15)22(30)21(18(20)13-31)23(32)27-9-10-35-3/h4-8,11,14,18,20-22,31H,9-10,12-13H2,1-3H3,(H,27,32)(H,28,34)/t18-,20-,21+,22+/m1/s1
InChIKey RKZCTJVPZQLRIW-YJMBLLCNSA-N
SMILES CC(C)NC(=O)N1[C@@H]2CN3C(=CC=C(C3=O)C4=CC(=CC=C4)F)[C@H]1[C@H]([C@@H]2CO)C(=O)NCCOC
ChEBI Ontology
Outgoing LSM-12730 (CHEBI:101366) is a phenylpyridine (CHEBI:38193)
Manual Xref Database
LSM-12730 LINCS
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