General Information of the Compound
Compound ID
CP0505205
Compound Name
N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-1-benzothiophene-3-sulfonamide
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Structure
Formula
C19H15N3O3S2
Molecular Weight
397.481
Canonical SMILES
Cc1ncccc1Oc1ccc(NS(=O)(=O)c2csc3ccccc23)cn1
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InChI
InChI=1S/C19H15N3O3S2/c1-13-16(6-4-10-20-13)25-19-9-8-14(11-21-19)22-27(23,24)18-12-26-17-7-3-2-5-15(17)18/h2-12,22H,1H3
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InChIKey
YHSNGKVPOMLPRA-UHFFFAOYSA-N
Physicochemical Property
logP
4.59282
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
81.18
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 44251239
SID: 85285224
ChEMBL ID
CHEMBL479357
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: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 572 nM
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