CHEBI:100959 - LSM-12332

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ChEBI Name LSM-12332
ChEBI ID CHEBI:100959
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H31F3N2O5S
Net Charge 0
Average Mass 528.586
Monoisotopic Mass 528.19058
InChI InChI=1S/C25H31F3N2O5S/c1-17-12-30(18(2)14-31)24(32)22-11-7-6-10-21(22)20-9-5-4-8-19(20)15-35-23(17)13-29(3)36(33,34)16-25(26,27)28/h4-11,17-18,23,31H,12-16H2,1-3H3/t17-,18+,23-/m0/s1
InChIKey YLVWKLWKMUPGPR-IXFSTUDKSA-N
SMILES C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)CC(F)(F)F)[C@H](C)CO
ChEBI Ontology
Outgoing LSM-12332 (CHEBI:100959) is a benzenoid aromatic compound (CHEBI:33836)
Manual Xref Database
LSM-12332 LINCS
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