CHEBI:131168 - N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-2-methyl-3-pyrazolyl)-2-thiophenecarboxamide

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ChEBI Name N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-2-methyl-3-pyrazolyl)-2-thiophenecarboxamide
ChEBI ID CHEBI:131168
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H17Cl2FN4OS
Net Charge 0
Average Mass 427.325
Monoisotopic Mass 426.04842
InChI InChI=1S/C18H17Cl2FN4OS/c1-25-16(14(19)9-23-25)13-7-15(27-17(13)20)18(26)24-12(8-22)6-10-3-2-4-11(21)5-10/h2-5,7,9,12H,6,8,22H2,1H3,(H,24,26)/t12-/m0/s1
InChIKey AFJRDFWMXUECEW-LBPRGKRZSA-N
SMILES CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)N[C@@H](CC3=CC(=CC=C3)F)CN)Cl
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Application(s): central nervous system stimulant
Any drug that enhances the activity of the central nervous system.
(via amphetamines )
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ChEBI Ontology
Outgoing N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-2-methyl-3-pyrazolyl)-2-thiophenecarboxamide (CHEBI:131168) is a amphetamines (CHEBI:35338)
Manual Xref Database
LSM-42768 LINCS
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