General Information of the Compound
Compound ID
CP0375938
Compound Name
N-[3-[3-(diethylamino)propyl]-1H-indol-5-yl]naphthalene-2-sulfonamide
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Structure
Formula
C25H29N3O2S
Molecular Weight
435.593
Canonical SMILES
CCN(CC)CCCc1c[nH]c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12
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InChI
InChI=1S/C25H29N3O2S/c1-3-28(4-2)15-7-10-21-18-26-25-14-12-22(17-24(21)25)27-31(29,30)23-13-11-19-8-5-6-9-20(19)16-23/h5-6,8-9,11-14,16-18,26-27H,3-4,7,10,15H2,1-2H3
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InChIKey
YPQQPLDCWAKIGB-UHFFFAOYSA-N
Physicochemical Property
logP
5.3963
Rotatable Bonds
9
Heavy Atom Count
31
Polar Areas
65.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
31

"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: 10296699
SID: 15303391
ChEMBL ID
CHEMBL177970
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 = 163 nM
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