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CHEBI:102173 - LSM-13531

ChEBI IDCHEBI:102173
ChEBI NameLSM-13531
Stars
DownloadsMolfile
FormulaC32H36FN3O5S
Net Charge0
Average Mass593.721
Monoisotopic Mass593.23597
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@@H]1CN(C)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C32H36FN3O5S/c1-21-17-36(22(2)19-37)32(38)31-30(25-13-7-9-15-27(25)35(31)4)24-12-6-5-11-23(24)20-41-28(21)18-34(3)42(39,40)29-16-10-8-14-26(29)33/h5-16,21-22,28,37H,17-20H2,1-4H3/t21-,22+,28-/m1/s1
InChIKeyPCQGWFREXHAZIT-RZIGYZOXSA-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-13531 (CHEBI:102173) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-13531LINCS