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CHEBI:98167 - LSM-9546

ChEBI IDCHEBI:98167
ChEBI NameLSM-9546
Stars
DownloadsMolfile
FormulaC28H34F3N3O5S
Net Charge0
Average Mass581.657
Monoisotopic Mass581.21713
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@H]1CN(C)S(=O)(=O)CC(F)(F)F
InChIInChI=1S/C28H34F3N3O5S/c1-18-13-34(19(2)15-35)27(36)26-25(22-11-7-8-12-23(22)33(26)4)21-10-6-5-9-20(21)16-39-24(18)14-32(3)40(37,38)17-28(29,30)31/h5-12,18-19,24,35H,13-17H2,1-4H3/t18-,19+,24+/m1/s1
InChIKeyBZAPUCLBFKATKI-IMWIBFENSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
LSM-9546 (CHEBI:98167) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-9546LINCS