CHEBI:102635 - LSM-13982

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ChEBI Name LSM-13982
ChEBI ID CHEBI:102635
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H24N2O4
Net Charge 0
Average Mass 368.427
Monoisotopic Mass 368.17361
InChI InChI=1S/C21H24N2O4/c1-27-21(26)19-15(13-24)17-12-23-16(8-5-9-18(23)25)20(19)22(17)11-10-14-6-3-2-4-7-14/h2-9,15,17,19-20,24H,10-13H2,1H3/t15-,17-,19+,20+/m1/s1
InChIKey YMDLGNDEUAJUCM-BEKAIBRUSA-N
SMILES COC(=O)[C@H]1[C@@H]([C@H]2CN3C(=O)C=CC=C3[C@@H]1N2CCC4=CC=CC=C4)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-13982 (CHEBI:102635) is a primary amine (CHEBI:32877)
Manual Xref Database
LSM-13982 LINCS
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