CHEBI:102161 - LSM-13520

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ChEBI Name LSM-13520
ChEBI ID CHEBI:102161
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C35H42N4O4
Net Charge 0
Average Mass 582.734
Monoisotopic Mass 582.32061
InChI InChI=1S/C35H42N4O4/c1-23-19-39(24(2)21-40)34(41)33-32(29-17-11-12-18-30(29)38(33)5)28-16-10-9-15-27(28)22-43-31(23)20-37(4)35(42)36-25(3)26-13-7-6-8-14-26/h6-18,23-25,31,40H,19-22H2,1-5H3,(H,36,42)/t23-,24-,25-,31-/m0/s1
InChIKey WVFRUYXRTWIHMU-OSYMNAPVSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)N[C@@H](C)C4=CC=CC=C4)C5=CC=CC=C5N2C)[C@@H](C)CO
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing LSM-13520 (CHEBI:102161) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-13520 LINCS
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