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CHEBI:98085 - LSM-9464

ChEBI IDCHEBI:98085
ChEBI NameLSM-9464
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DownloadsMolfile
FormulaC33H36N4O5S
Net Charge0
Average Mass600.741
Monoisotopic Mass600.24064
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@H]1CN(C)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C33H36N4O5S/c1-22-18-37(23(2)20-38)33(39)32-31(27-14-8-9-15-28(27)36(32)4)26-13-7-5-12-25(26)21-42-29(22)19-35(3)43(40,41)30-16-10-6-11-24(30)17-34/h5-16,22-23,29,38H,18-21H2,1-4H3/t22-,23-,29-/m0/s1
InChIKeyVOTKEIORIBNPMA-BOSRLCDASA-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-9464 (CHEBI:98085) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-9464LINCS