General Information of the Compound
Compound ID
CP0505204
Compound Name
7-methyl-N-(6-(2-methylpyridin-3-yloxy)pyridin-3-yl)-1H-indole-3-carboxamide
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Structure
Formula
C21H18N4O2
Molecular Weight
358.401
Canonical SMILES
Cc1cccc2c(c[nH]c12)C(=O)Nc1ccc(Oc2cccnc2C)nc1
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InChI
InChI=1S/C21H18N4O2/c1-13-5-3-6-16-17(12-24-20(13)16)21(26)25-15-8-9-19(23-11-15)27-18-7-4-10-22-14(18)2/h3-12,24H,1-2H3,(H,25,26)
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InChIKey
USPGIWKYYNKFNY-UHFFFAOYSA-N
Physicochemical Property
logP
4.61934
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
79.9
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 44251390
SID: 85285380
ChEMBL ID
CHEMBL451486
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 = 8.2 nM
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