General Information of the Compound
Compound ID
CP0469207
Compound Name
N-[1-[2-(dimethylamino)ethyl]indol-6-yl]naphthalene-2-sulfonamide
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Structure
Formula
C22H23N3O2S
Molecular Weight
393.512
Canonical SMILES
CN(C)CCn1ccc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12
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InChI
InChI=1S/C22H23N3O2S/c1-24(2)13-14-25-12-11-18-7-9-20(16-22(18)25)23-28(26,27)21-10-8-17-5-3-4-6-19(17)15-21/h3-12,15-16,23H,13-14H2,1-2H3
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InChIKey
GLMWOXAKQHRWJX-UHFFFAOYSA-N
Physicochemical Property
logP
4.1569
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
54.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 11257897
SID: 16343356
ChEMBL ID
CHEMBL368871
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
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 41.2 nM
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