General Information of the Compound
Compound ID
CP0504234
Compound Name
N-[6-(6-methylpyridin-3-yl)oxypyridin-3-yl]-1H-indole-3-carboxamide
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Structure
Formula
C20H16N4O2
Molecular Weight
344.374
Canonical SMILES
Cc1ccc(Oc2ccc(NC(=O)c3c[nH]c4ccccc34)cn2)cn1
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InChI
InChI=1S/C20H16N4O2/c1-13-6-8-15(11-21-13)26-19-9-7-14(10-23-19)24-20(25)17-12-22-18-5-3-2-4-16(17)18/h2-12,22H,1H3,(H,24,25)
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InChIKey
HWRZBKAPVVWFKD-UHFFFAOYSA-N
Physicochemical Property
logP
4.31092
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
79.9
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 44250362
SID: 85284308
ChEMBL ID
CHEMBL479764
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 = 2253 nM
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