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CHEBI:119414 - LSM-30863

ChEBI IDCHEBI:119414
ChEBI NameLSM-30863
Stars
DownloadsMolfile
FormulaC33H37FN4O4
Net Charge0
Average Mass572.681
Monoisotopic Mass572.27988
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@@H]1CN(C)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C33H37FN4O4/c1-21-17-38(22(2)19-39)32(40)31-30(27-14-7-8-15-28(27)37(31)4)26-13-6-5-10-23(26)20-42-29(21)18-36(3)33(41)35-25-12-9-11-24(34)16-25/h5-16,21-22,29,39H,17-20H2,1-4H3,(H,35,41)/t21-,22-,29-/m1/s1
InChIKeyKIMVBWBBLXVDQH-IEOSBIPESA-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-30863 (CHEBI:119414) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-30863LINCS