CHEBI:101169 - LSM-12538

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ChEBI Name LSM-12538
ChEBI ID CHEBI:101169
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H19FN2O3S
Net Charge 0
Average Mass 386.442
Monoisotopic Mass 386.11004
InChI InChI=1S/C20H19FN2O3S/c1-2-4-14-7-9-15(10-8-14)20-18(12-22)23(19(20)13-24)27(25,26)17-6-3-5-16(21)11-17/h2-11,18-20,24H,13H2,1H3/t18-,19-,20-/m1/s1
InChIKey CRECGCTYSBAAAJ-VAMGGRTRSA-N
SMILES CC=CC1=CC=C(C=C1)[C@H]2[C@H](N([C@@H]2C#N)S(=O)(=O)C3=CC=CC(=C3)F)CO
ChEBI Ontology
Outgoing LSM-12538 (CHEBI:101169) is a azetidines (CHEBI:38777)
LSM-12538 (CHEBI:101169) is a benzenes (CHEBI:22712)
LSM-12538 (CHEBI:101169) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-12538 LINCS
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