General Information of the Compound
Compound ID
CP0512260
Compound Name
N-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-1H-indole-3-carboxamide
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Structure
Formula
C21H18N4O2
Molecular Weight
358.401
Canonical SMILES
CN(C(=O)c1c[nH]c2ccccc12)c1ccc(Oc2cccnc2C)nc1
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InChI
InChI=1S/C21H18N4O2/c1-14-19(8-5-11-22-14)27-20-10-9-15(12-24-20)25(2)21(26)17-13-23-18-7-4-3-6-16(17)18/h3-13,23H,1-2H3
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InChIKey
WPBVWDCLPYQGLK-UHFFFAOYSA-N
Physicochemical Property
logP
4.33522
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
71.11
Hydrogen Bond Donor Count
1
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: 44251385
SID: 85285375
ChEMBL ID
CHEMBL518452
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 = 9441 nM
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