General Information of the Compound
Compound ID
CP0465597
Compound Name
potassium;[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonyl-(phenylcarbamoyl)azanide
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Formula
C14H15KN2O5S
Molecular Weight
362.448
Canonical SMILES
[K+].CC(C)(O)c1coc(c1)S(=O)(=O)[N-]C(=O)Nc1ccccc1
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InChI
InChI=1S/C14H16N2O5S.K/c1-14(2,18)10-8-12(21-9-10)22(19,20)16-13(17)15-11-6-4-3-5-7-11;/h3-9,18H,1-2H3,(H2,15,16,17);/q;+1/p-1
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InChIKey
IRQLBSUUNBFZQT-UHFFFAOYSA-M
Physicochemical Property
logP
-0.1945
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
110.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
23

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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ChEMBL ID
CHEMBL4797667
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03614, NACHT, LRR and PYD domains-containing protein 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000752 PBMC iPSC #1 Homo sapiens (Human)  1
1
IC50 > 20000 nM
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   LI
   LO
   TS