CHEBI:100895 - LSM-12269

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ChEBI Name LSM-12269
ChEBI ID CHEBI:100895
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C35H42N4O5
Net Charge 0
Average Mass 598.733
Monoisotopic Mass 598.31552
InChI InChI=1S/C35H42N4O5/c1-23-19-39(24(2)21-40)34(41)33-32(29-12-8-9-13-30(29)38(33)4)28-11-7-6-10-26(28)22-44-31(23)20-37(3)35(42)36-18-25-14-16-27(43-5)17-15-25/h6-17,23-24,31,40H,18-22H2,1-5H3,(H,36,42)/t23-,24+,31+/m1/s1
InChIKey GHOSBDATJBJZOG-OXYPMYLPSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NCC4=CC=C(C=C4)OC)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-12269 (CHEBI:100895) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-12269 LINCS
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