CHEBI:103303 - LSM-14647

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ChEBI Name LSM-14647
ChEBI ID CHEBI:103303
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H31N3O3
Net Charge 0
Average Mass 421.533
Monoisotopic Mass 421.23654
InChI InChI=1S/C25H31N3O3/c1-4-8-18-11-12-20-23-22(25(31)26(2)3)19(16-29)21(15-28(20)24(18)30)27(23)14-13-17-9-6-5-7-10-17/h4-12,19,21-23,29H,13-16H2,1-3H3/t19-,21-,22+,23+/m0/s1
InChIKey IMLNKYQDLHUNSC-KZKAQZJJSA-N
SMILES CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3CCC4=CC=CC=C4)CN2C1=O)CO)C(=O)N(C)C
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-14647 (CHEBI:103303) is a primary amine (CHEBI:32877)
Manual Xref Database
LSM-14647 LINCS
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