General Information of the Compound
Compound ID
CP0572967
Compound Name
3-[4-(5-pyridin-4-yl-1H-pyrazol-4-yl)phenyl]benzenesulfonamide
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Structure
Formula
C20H16N4O2S
Molecular Weight
376.441
Canonical SMILES
NS(=O)(=O)c1cccc(c1)-c1ccc(cc1)-c1c[nH]nc1-c1ccncc1
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InChI
InChI=1S/C20H16N4O2S/c21-27(25,26)18-3-1-2-17(12-18)14-4-6-15(7-5-14)19-13-23-24-20(19)16-8-10-22-11-9-16/h1-13H,(H,23,24)(H2,21,25,26)
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InChIKey
WEYZMTHVWCJUGC-UHFFFAOYSA-N
Physicochemical Property
logP
3.4531
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
101.73
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
27

"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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PubChem ID
CID: 166490570
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: PT06768, Leucine-rich repeat serine/threonine-protein kinase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 5100 nM
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