General Information of the Compound
Compound ID
CP0493711
Compound Name
N,1-dimethyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]indole-3-carboxamide
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Structure
Formula
C22H20N4O2
Molecular Weight
372.428
Canonical SMILES
CN(C(=O)c1cn(C)c2ccccc12)c1ccc(Oc2cccnc2C)nc1
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InChI
InChI=1S/C22H20N4O2/c1-15-20(9-6-12-23-15)28-21-11-10-16(13-24-21)26(3)22(27)18-14-25(2)19-8-5-4-7-17(18)19/h4-14H,1-3H3
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InChIKey
JMWLXQZFTDZDLO-UHFFFAOYSA-N
Physicochemical Property
logP
4.34562
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
60.25
Hydrogen Bond Donor Count
0
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: 44251386
SID: 85285376
ChEMBL ID
CHEMBL518154
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 = 6369 nM
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