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CHEBI:98875 - LSM-10254

ChEBI IDCHEBI:98875
ChEBI NameLSM-10254
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DownloadsMolfile
FormulaC33H36N4O5S
Net Charge0
Average Mass600.741
Monoisotopic Mass600.24064
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2cccc(C#N)c2)OCc2ccccc2-c2c(n(C)c3ccccc23)C1=O
InChIInChI=1S/C33H36N4O5S/c1-22-18-37(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)21-42-30(22)19-35(3)43(40,41)26-12-9-10-24(16-26)17-34/h5-16,22-23,30,38H,18-21H2,1-4H3/t22-,23+,30+/m0/s1
InChIKeyDEQYHGFYIZKXEQ-DDFCPOBKSA-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-10254 (CHEBI:98875) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-10254LINCS