CHEBI:100769 - LSM-12143

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ChEBI Name LSM-12143
ChEBI ID CHEBI:100769
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C29H33FN2O5S
Net Charge 0
Average Mass 540.648
Monoisotopic Mass 540.20942
InChI InChI=1S/C29H33FN2O5S/c1-20-16-32(21(2)18-33)29(34)27-14-7-6-13-26(27)25-12-5-4-9-22(25)19-37-28(20)17-31(3)38(35,36)24-11-8-10-23(30)15-24/h4-15,20-21,28,33H,16-19H2,1-3H3/t20-,21+,28+/m1/s1
InChIKey APRVPIVHITUHLQ-GGJMMHKRSA-N
SMILES C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)F)[C@@H](C)CO
ChEBI Ontology
Outgoing LSM-12143 (CHEBI:100769) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-12143 LINCS
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