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CHEBI:100007 - LSM-11386

ChEBI IDCHEBI:100007
ChEBI NameLSM-11386
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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)c1cccc(C#N)c1
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-/m1/s1
InChIKeyDEQYHGFYIZKXEQ-IQLGONJTSA-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-11386 (CHEBI:100007) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-11386LINCS