General Information of the Compound
Compound ID
CP0381371
Compound Name
N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-1-benzofuran-3-carboxamide
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Structure
Formula
C20H15N3O3
Molecular Weight
345.358
Canonical SMILES
Cc1ncccc1Oc1ccc(NC(=O)c2coc3ccccc23)cn1
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InChI
InChI=1S/C20H15N3O3/c1-13-17(7-4-10-21-13)26-19-9-8-14(11-22-19)23-20(24)16-12-25-18-6-3-2-5-15(16)18/h2-12H,1H3,(H,23,24)
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InChIKey
GHQAGPBPLINQPK-UHFFFAOYSA-N
Physicochemical Property
logP
4.57582
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
77.25
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 44251240
SID: 85285225
ChEMBL ID
CHEMBL508751
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 = 167 nM
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