General Information of the Compound
Compound ID
CP0501039
Compound Name
N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]benzenesulfonamide
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Structure
Formula
C22H20N4O2S
Molecular Weight
404.495
Canonical SMILES
Cc1ccc(cc1)-n1nc(cc1N)-c1ccc(NS(=O)(=O)c2ccccc2)cc1
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InChI
InChI=1S/C22H20N4O2S/c1-16-7-13-19(14-8-16)26-22(23)15-21(24-26)17-9-11-18(12-10-17)25-29(27,28)20-5-3-2-4-6-20/h2-15,25H,23H2,1H3
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InChIKey
RMYHYDABGVQXCU-UHFFFAOYSA-N
Physicochemical Property
logP
4.23072
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
90.01
Hydrogen Bond Donor Count
2
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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PubChem ID
CID: 10111849
SID: 15100530
ChEMBL ID
CHEMBL75823
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: PT01795, Neuropeptide Y receptor type 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 25 nM
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