CHEBI:101414 - LSM-12777

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ChEBI Name LSM-12777
ChEBI ID CHEBI:101414
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H38N2O4
Net Charge 0
Average Mass 502.646
Monoisotopic Mass 502.28316
InChI InChI=1S/C31H38N2O4/c1-22-17-33(23(2)20-34)31(35)28-15-9-8-14-27(28)26-13-7-5-12-25(26)21-37-30(22)19-32(3)18-24-11-6-10-16-29(24)36-4/h5-16,22-23,30,34H,17-21H2,1-4H3/t22-,23+,30-/m0/s1
InChIKey VZCRYBFAFAJOLC-BURCIIJTSA-N
SMILES C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4=CC=CC=C4OC)[C@H](C)CO
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing LSM-12777 (CHEBI:101414) is a aromatic amine (CHEBI:33860)
Manual Xref Database
LSM-12777 LINCS
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