CHEBI:109918 - LSM-21345

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ChEBI Name LSM-21345
ChEBI ID CHEBI:109918
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H32FN3O3
Net Charge 0
Average Mass 441.539
Monoisotopic Mass 441.24277
InChI InChI=1S/C25H32FN3O3/c1-5-8-19-11-21-24(27-12-19)32-23(17(2)13-29(25(21)31)18(3)16-30)15-28(4)14-20-9-6-7-10-22(20)26/h5-12,17-18,23,30H,13-16H2,1-4H3/t17-,18-,23+/m0/s1
InChIKey BFKPGMXAQGECHU-IUKKYPGJSA-N
SMILES CC=CC1=CN=C2C(=C1)C(=O)N(C[C@@H]([C@H](O2)CN(C)CC3=CC=CC=C3F)C)[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-21345 (CHEBI:109918) is a aromatic amine (CHEBI:33860)
Manual Xref Database
LSM-21345 LINCS
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