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CHEBI:100538 - LSM-11912

ChEBI IDCHEBI:100538
ChEBI NameLSM-11912
Stars
DownloadsMolfile
FormulaC30H36F3N3O4
Net Charge0
Average Mass559.629
Monoisotopic Mass559.26579
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@@H]1CN(C)C(=O)CCC(F)(F)F
InChIInChI=1S/C30H36F3N3O4/c1-19-15-36(20(2)17-37)29(39)28-27(23-11-7-8-12-24(23)35(28)4)22-10-6-5-9-21(22)18-40-25(19)16-34(3)26(38)13-14-30(31,32)33/h5-12,19-20,25,37H,13-18H2,1-4H3/t19-,20+,25-/m1/s1
InChIKeyRDYUFLZMPZQAJV-OHUGHZGNSA-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-11912 (CHEBI:100538) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-11912LINCS