General Information of the Compound
Compound ID
CP0505206
Compound Name
N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-1H-indole-2-carboxamide
    Show/Hide
Structure
Formula
C20H16N4O2
Molecular Weight
344.374
Canonical SMILES
Cc1ncccc1Oc1ccc(NC(=O)c2cc3ccccc3[nH]2)cn1
    Show/Hide
InChI
InChI=1S/C20H16N4O2/c1-13-18(7-4-10-21-13)26-19-9-8-15(12-22-19)23-20(25)17-11-14-5-2-3-6-16(14)24-17/h2-12,24H,1H3,(H,23,25)
    Show/Hide
InChIKey
OPUPDKNBTJWYDR-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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44251315
SID: 85285301
ChEMBL ID
CHEMBL472134
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 = 59 nM
   TI
   LI
   LO
   TS