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Chemical structure of (+)-SJ733 (SJ000557733)

GC32130

(+)-SJ733 (SJ000557733)

Also known as (3S,4S)-N-(3-cyano-4-fluorophenyl)-1-oxo-3-pyridin-3-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinoline-4-carboxamide

(+)-SJ733 (SJ000557733) is an anti-malaria agent which can also inhibit Na+-ATPase PfATP4

ChemicalCAS1424799-20-1MW468.4FormulaC24H16F4N4O2
CAS number
1424799-20-1
Molecular weight
468.4
Formula
C24H16F4N4O2
Solubility
DMSO ： 50 mg/mL (106·75 mM)
InChIKey
VKCPFWKTFZAOTO-LEWJYISDSA-N
Catalogue number
GC32130
Brand
GLPBIO
Computed properties PubChem CID 89508529 · XLogP 3.4 · TPSA 86.1 Ų · H-bond donors 1
XLogP
3.4
TPSA
86.1 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
34

SMILES C1=CC=C2C(=C1)[C@@H]([C@H](N(C2=O)CC(F)(F)F)C3=CN=CC=C3)C(=O)NC4=CC(=C(C=C4)F)C#N

Computed descriptors from PubChem (CID 89508529), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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