General Information of the Compound
Compound ID
CP0493712
Compound Name
N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-1H-indole-3-carboxamide
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Structure
Formula
C20H16N4O2
Molecular Weight
344.374
Canonical SMILES
Cc1ncccc1Oc1ccc(NC(=O)c2c[nH]c3ccccc23)cn1
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InChI
InChI=1S/C20H16N4O2/c1-13-18(7-4-10-21-13)26-19-9-8-14(11-23-19)24-20(25)16-12-22-17-6-3-2-5-15(16)17/h2-12,22H,1H3,(H,24,25)
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InChIKey
ZCPITANIUMVYBQ-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).

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PubChem ID
CID: 44251316
SID: 85285302
ChEMBL ID
CHEMBL512900
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 = 67 nM
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