General Information of the Compound
Compound ID
CP0488197
Compound Name
N-[[4-(4-methylphenyl)phenyl]methyl]-1H-indole-2-sulfonamide
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Structure
Formula
C22H20N2O2S
Molecular Weight
376.481
Canonical SMILES
Cc1ccc(cc1)-c1ccc(CNS(=O)(=O)c2cc3ccccc3[nH]2)cc1
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InChI
InChI=1S/C22H20N2O2S/c1-16-6-10-18(11-7-16)19-12-8-17(9-13-19)15-23-27(25,26)22-14-20-4-2-3-5-21(20)24-22/h2-14,23-24H,15H2,1H3
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InChIKey
PRYSICVKRNBCMX-UHFFFAOYSA-N
Physicochemical Property
logP
4.62182
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
61.96
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 66546895
SID: 152139378
ChEMBL ID
CHEMBL4554003
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 3 nM
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