CHEBI:104985 - LSM-16348

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ChEBI Name LSM-16348
ChEBI ID CHEBI:104985
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C28H29ClN3O3S
Net Charge +1
Average Mass 523.068
Monoisotopic Mass 522.16127
InChI InChI=1S/C28H28ClN3O3S/c1-5-15-31-17-32(23-12-7-6-11-22(23)31)26(28(36)30-21-10-8-9-20(29)18(21)2)27(33)19-13-14-24(34-3)25(16-19)35-4/h6-14,16-17,26H,5,15H2,1-4H3/p+1
InChIKey KDKYHLKGBVCGMU-UHFFFAOYSA-O
SMILES CCC[N+]1=CN(C2=CC=CC=C21)C(C(=O)C3=CC(=C(C=C3)OC)OC)C(=S)NC4=C(C(=CC=C4)Cl)C
ChEBI Ontology
Outgoing LSM-16348 (CHEBI:104985) is a aromatic ketone (CHEBI:76224)
Manual Xref Database
LSM-16348 LINCS
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