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Chemical structure of NLRP3-IN-18

GC69573

NLRP3-IN-18

Also known as 4-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]phthalazin-1-amine

NLRP3-IN-18 (compound 13) is an effective NLRP3 inhibitor with an IC50 value of ≤ 1·0 µM[1]

ChemicalCAS2769040-06-2MW339.82FormulaC19H18ClN3O
CAS number
2769040-06-2
Molecular weight
339.82
Formula
C19H18ClN3O
InChIKey
FVFXAPATLSJYGX-HNNXBMFYSA-N
Catalogue number
GC69573
Brand
GLPBIO
Computed properties PubChem CID 164983524 · XLogP 4.1 · TPSA 47 Ų · H-bond donors 1
XLogP
4.1
TPSA
47 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
24

SMILES C1C[C@H](OC1)CNC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)Cl

Computed descriptors from PubChem (CID 164983524), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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