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CHEBI:128308 - LSM-39863

ChEBI IDCHEBI:128308
ChEBI NameLSM-39863
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DownloadsMolfile
FormulaC33H38FN3O3
Net Charge0
Average Mass543.683
Monoisotopic Mass543.28972
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@H]1CN(C)Cc1cccc(F)c1
InChIInChI=1S/C33H38FN3O3/c1-22-17-37(23(2)20-38)33(39)32-31(28-14-7-8-15-29(28)36(32)4)27-13-6-5-11-25(27)21-40-30(22)19-35(3)18-24-10-9-12-26(34)16-24/h5-16,22-23,30,38H,17-21H2,1-4H3/t22-,23+,30+/m1/s1
InChIKeyGFQKDUOYURHVMT-HFZPWKHCSA-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-39863 (CHEBI:128308) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-39863LINCS