General Information of the Compound
Compound ID
CP0164226
Compound Name
5-methoxy-N-(6-(2-methylpyridin-3-yloxy)pyridin-3-yl)-1H-indole-3-carboxamide
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Structure
Formula
C21H18N4O3
Molecular Weight
374.4
Canonical SMILES
COc1ccc2[nH]cc(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2c1
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InChI
InChI=1S/C21H18N4O3/c1-13-19(4-3-9-22-13)28-20-8-5-14(11-24-20)25-21(26)17-12-23-18-7-6-15(27-2)10-16(17)18/h3-12,23H,1-2H3,(H,25,26)
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InChIKey
BOLGHGNEFZUVST-UHFFFAOYSA-N
Physicochemical Property
logP
4.31952
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
89.13
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 44251388
SID: 85285378
ChEMBL ID
CHEMBL480699
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 = 10.7 nM
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