General Information of the Compound
Compound ID
CP0235338
Compound Name
3-(2-(dimethylamino)ethyl)-2-methyl-N-(naphthalen-1-yl)-1H-indene-5-sulfonamide
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Structure
Formula
C24H26N2O2S
Molecular Weight
406.551
Canonical SMILES
CN(C)CCC1=C(C)Cc2ccc(cc12)S(=O)(=O)Nc1cccc2ccccc12
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InChI
InChI=1S/C24H26N2O2S/c1-17-15-19-11-12-20(16-23(19)21(17)13-14-26(2)3)29(27,28)25-24-10-6-8-18-7-4-5-9-22(18)24/h4-12,16,25H,13-15H2,1-3H3
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InChIKey
NCXJCTGPMJFTES-UHFFFAOYSA-N
Physicochemical Property
logP
4.9219
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
49.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 25208878
SID: 57415914
ChEMBL ID
CHEMBL475969
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
CL000131 HEK293-F Homo sapiens (Human)  1
1
EC50 = 14 nM
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