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CHEBI:100439 - LSM-11814

ChEBI IDCHEBI:100439
ChEBI NameLSM-11814
Stars
DownloadsMolfile
FormulaC32H36N4O4
Net Charge0
Average Mass540.664
Monoisotopic Mass540.27366
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2c(c3ccccc3n2C)-c2ccccc2CO[C@@H]1CN(C)C(=O)c1ccncc1
InChIInChI=1S/C32H36N4O4/c1-21-17-36(22(2)19-37)32(39)30-29(26-11-7-8-12-27(26)35(30)4)25-10-6-5-9-24(25)20-40-28(21)18-34(3)31(38)23-13-15-33-16-14-23/h5-16,21-22,28,37H,17-20H2,1-4H3/t21-,22+,28-/m1/s1
InChIKeyBXWHKXPVJGEBOL-RZIGYZOXSA-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-11814 (CHEBI:100439) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-11814LINCS