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CHEBI:94561 - LSM-5418

ChEBI IDCHEBI:94561
ChEBI NameLSM-5418
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DownloadsMolfile
FormulaC19H20N2O3
Net Charge0
Average Mass324.380
Monoisotopic Mass324.14739
SMILESO=C(OC1C[C@@H]2CC3C[C@H](C1)N2CC3=O)c1cnc2ccccc12
InChIInChI=1S/C19H20N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,20H,5-8,10H2/t11?,12-,13+,14?
InChIKeyUKTAZPQNNNJVKR-AKJUYKBHSA-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-5418 (CHEBI:94561) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-5418LINCS