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CHEBI:98339 - LSM-9718

ChEBI IDCHEBI:98339
ChEBI NameLSM-9718
Stars
DownloadsMolfile
FormulaC31H38N2O4
Net Charge0
Average Mass502.655
Monoisotopic Mass502.28316
SMILESCOc1cccc(CN(C)C[C@H]2OCc3ccccc3-c3ccccc3C(=O)N([C@H](C)CO)C[C@@H]2C)c1
InChIInChI=1S/C31H38N2O4/c1-22-17-33(23(2)20-34)31(35)29-15-8-7-14-28(29)27-13-6-5-11-25(27)21-37-30(22)19-32(3)18-24-10-9-12-26(16-24)36-4/h5-16,22-23,30,34H,17-21H2,1-4H3/t22-,23+,30+/m0/s1
InChIKeyJYPGTBVWUBFVKL-DDFCPOBKSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
LSM-9718 (CHEBI:98339) is a aromatic amine (CHEBI:33860)
Manual XrefsDatabases
LSM-9718LINCS