CHEBI:100928 - LSM-12301

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ChEBI Name LSM-12301
ChEBI ID CHEBI:100928
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H42N4O4
Net Charge 0
Average Mass 534.691
Monoisotopic Mass 534.32061
InChI InChI=1S/C31H42N4O4/c1-21-17-35(22(2)19-36)31(38)30-29(25-13-9-10-14-26(25)34(30)6)24-12-8-7-11-23(24)20-39-27(21)18-33(5)28(37)15-16-32(3)4/h7-14,21-22,27,36H,15-20H2,1-6H3/t21-,22+,27-/m1/s1
InChIKey UPHSEAQPRHOHRJ-UMTXDNHDSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)CCN(C)C)C4=CC=CC=C4N2C)[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-12301 (CHEBI:100928) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-12301 LINCS
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