CHEBI:101116 - LSM-12485

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ChEBI Name LSM-12485
ChEBI ID CHEBI:101116
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H35N3O3
Net Charge 0
Average Mass 473.608
Monoisotopic Mass 473.26784
InChI InChI=1S/C29H35N3O3/c1-21-16-32(22(2)19-33)29(34)27-13-7-6-12-26(27)25-11-5-4-10-24(25)20-35-28(21)18-31(3)17-23-9-8-14-30-15-23/h4-15,21-22,28,33H,16-20H2,1-3H3/t21-,22-,28-/m0/s1
InChIKey JEKWQBVWBTUQQJ-VPYPWEPUSA-N
SMILES C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4=CN=CC=C4)[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-12485 (CHEBI:101116) is a aralkylamine (CHEBI:18000)
Manual Xref Database
LSM-12485 LINCS
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