General Information of the Compound
Compound ID
CP0473482
Compound Name
N,N,2-trimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-sulfonamide
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Structure
Formula
C14H19N3O2S
Molecular Weight
293.392
Canonical SMILES
CN(C)S(=O)(=O)c1ccc2[nH]c3CCN(C)Cc3c2c1
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InChI
InChI=1S/C14H19N3O2S/c1-16(2)20(18,19)10-4-5-13-11(8-10)12-9-17(3)7-6-14(12)15-13/h4-5,8,15H,6-7,9H2,1-3H3
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InChIKey
IEVHUTQIKDRTOL-UHFFFAOYSA-N
Physicochemical Property
logP
1.4061
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
56.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 45113275
SID: 92302306
ChEMBL ID
CHEMBL1099282
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
IC50 = 26000 nM
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