CHEBI:93354 - LSM-3727

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-3727
ChEBI ID CHEBI:93354
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H14FN3O3S
Net Charge 0
Average Mass 407.419
Monoisotopic Mass 407.07399
InChI InChI=1S/C21H14FN3O3S/c22-15-9-7-14(8-10-15)20(26)27-11-3-4-12-29-21-25-24-19(28-21)17-13-23-18-6-2-1-5-16(17)18/h1-2,5-10,13,24H,11-12H2
InChIKey VHQRUMBDMGCDMP-UHFFFAOYSA-N
SMILES C1=CC=C2C(=C1)C(=C3NN=C(O3)SCC#CCOC(=O)C4=CC=C(C=C4)F)C=N2
ChEBI Ontology
Outgoing LSM-3727 (CHEBI:93354) is a benzoate ester (CHEBI:36054)
Manual Xref Database
LSM-3727 LINCS
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