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CHEBI:100981 - LSM-12354

ChEBI IDCHEBI:100981
ChEBI NameLSM-12354
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DownloadsMolfile
FormulaC32H38N4O3
Net Charge0
Average Mass526.681
Monoisotopic Mass526.29439
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@@H]1CN(C)Cc1cccnc1
InChIInChI=1S/C32H38N4O3/c1-22-17-36(23(2)20-37)32(38)31-30(27-13-7-8-14-28(27)35(31)4)26-12-6-5-11-25(26)21-39-29(22)19-34(3)18-24-10-9-15-33-16-24/h5-16,22-23,29,37H,17-21H2,1-4H3/t22-,23-,29+/m0/s1
InChIKeyRPGWXCDGQSLPTH-SBZVUBOMSA-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-12354 (CHEBI:100981) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-12354LINCS