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Chemical structure of INE963

GC64491

INE963

Also known as 4-(aminomethyl)-1-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-ol

INE963 is a potent and fast-acting blood-stage antimalarial agent, with an EC50s of 3-6 nM

ChemicalCAS2640567-43-5MW402.51FormulaC19H26N6O2S
CAS number
2640567-43-5
Molecular weight
402.51
Formula
C19H26N6O2S
Solubility
DMSO ： 100 mg/mL (248·44 mM; Need ultrasonic)
InChIKey
JYHSRMKXBAPFST-UHFFFAOYSA-N
Catalogue number
GC64491
Brand
GLPBIO
Computed properties PubChem CID 156274257 · XLogP 2.1 · TPSA 130 Ų · H-bond donors 2
XLogP
2.1
TPSA
130 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
28

SMILES CC(C)C1=NC(=C(C=C1)C2=CN=C3N2N=C(S3)N4CCC(CC4)(CN)O)OC

Computed descriptors from PubChem (CID 156274257), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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