CHEBI:100140 - LSM-11519

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ChEBI Name LSM-11519
ChEBI ID CHEBI:100140
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C30H33F3N2O5S
Net Charge 0
Average Mass 590.656
Monoisotopic Mass 590.20623
InChI InChI=1S/C30H33F3N2O5S/c1-20-16-35(21(2)18-36)29(37)27-11-7-6-10-26(27)25-9-5-4-8-22(25)19-40-28(20)17-34(3)41(38,39)24-14-12-23(13-15-24)30(31,32)33/h4-15,20-21,28,36H,16-19H2,1-3H3/t20-,21-,28+/m1/s1
InChIKey VUGFGKFGZUURHO-CJYOKPGZSA-N
SMILES C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)[C@H](C)CO
ChEBI Ontology
Outgoing LSM-11519 (CHEBI:100140) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-11519 LINCS
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