General Information of the Compound
Compound ID
CP0292029
Compound Name
1-Benzenesulfonyl-3-(2-dimethylamino-ethyl)-1H-indol-5-ol
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Structure
Formula
C18H20N2O3S
Molecular Weight
344.436
Canonical SMILES
CN(C)CCc1cn(c2ccc(O)cc12)S(=O)(=O)c1ccccc1
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InChI
InChI=1S/C18H20N2O3S/c1-19(2)11-10-14-13-20(18-9-8-15(21)12-17(14)18)24(22,23)16-6-4-3-5-7-16/h3-9,12-13,21H,10-11H2,1-2H3
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InChIKey
FJLSZBZWFBWFHE-UHFFFAOYSA-N
Physicochemical Property
logP
2.688
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
62.54
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 9841077
SID: 14802582
ChEMBL ID
CHEMBL112024
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
Ki = 19 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 28 nM