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Chemical structure of DDD107498 succinate

GC35820

DDD107498 succinate

Also known as butanedioic acid;6-fluoro-2-[4-(morpholin-4-ylmethyl)phenyl]-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide

DDD107498 succinate (DDD-498 succinate) is a potent and orally active antimalarial agent, inhibits multiple life-cycle stages of the parasite, with an EC50 of 1 nM against P

ChemicalCAS2444781-71-7MW580.65FormulaC31H37FN4O6
CAS number
2444781-71-7
Molecular weight
580.65
Formula
C31H37FN4O6
Solubility
DMSO: 135 mg/mL (232·50 mM)
InChIKey
OTKHBNSZSWWVRJ-UHFFFAOYSA-N
Catalogue number
GC35820
Brand
GLPBIO
Computed properties PubChem CID 138319698 · TPSA 132 Ų · H-bond donors 3 · H-bond acceptors 10
TPSA
132 Ų
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
10
Heavy atoms
42

SMILES C1CCN(C1)CCNC(=O)C2=CC(=NC3=C2C=C(C=C3)F)C4=CC=C(C=C4)CN5CCOCC5.C(CC(=O)O)C(=O)O

Computed descriptors from PubChem (CID 138319698), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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