General Information of the Compound
Compound ID
CP0565330
Compound Name
4-[2-(4-chlorophenyl)-5-(2-cyclobutylacetyl)pyrazol-3-yl]benzenesulfonamide
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Formula
C21H20ClN3O3S
Molecular Weight
429.929
Canonical SMILES
NS(=O)(=O)c1ccc(cc1)-c1cc(nn1-c1ccc(Cl)cc1)C(=O)CC1CCC1
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InChI
InChI=1S/C21H20ClN3O3S/c22-16-6-8-17(9-7-16)25-20(15-4-10-18(11-5-15)29(23,27)28)13-19(24-25)21(26)12-14-2-1-3-14/h4-11,13-14H,1-3,12H2,(H2,23,27,28)
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InChIKey
OCICGVFLZUPXRH-UHFFFAOYSA-N
Physicochemical Property
logP
4.213
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
95.05
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
29

"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
CHEMBL4752316
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: PT01846, Neuronal acetylcholine receptor subunit alpha-7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 2500 nM
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