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Chemical structure of DDD107498

GC17285

DDD107498

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

A novelmultiple-stage antimalarial agent

ChemicalCAS1469439-69-7MW462.56FormulaC27H31FN4O2
CAS number
1469439-69-7
Molecular weight
462.56
Formula
C27H31FN4O2
Solubility
≥ 14·05mg/mL in DMSO
InChIKey
BENUHBSJOJMZEE-UHFFFAOYSA-N
Catalogue number
GC17285
Brand
GLPBIO
Computed properties PubChem CID 71748268 · XLogP 3.2 · TPSA 57.7 Ų · H-bond donors 1
XLogP
3.2
TPSA
57.7 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
34

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

Computed descriptors from PubChem (CID 71748268), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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