General Information of the Compound
Compound ID
CP0238043
Compound Name
N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]naphthalene-2-sulfonamide
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Structure
Formula
C24H25N3O2S
Molecular Weight
419.55
Canonical SMILES
CC(C)Cc1cc(CNS(=O)(=O)c2ccc3ccccc3c2)nn1-c1ccccc1
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InChI
InChI=1S/C24H25N3O2S/c1-18(2)14-23-16-21(26-27(23)22-10-4-3-5-11-22)17-25-30(28,29)24-13-12-19-8-6-7-9-20(19)15-24/h3-13,15-16,18,25H,14,17H2,1-2H3
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InChIKey
IXGLVEXYQKUARI-UHFFFAOYSA-N
Physicochemical Property
logP
4.7025
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
63.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 118512805
ChEMBL ID
CHEMBL3930881
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: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
IC50 = 3300 nM
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