General Information of the Compound
Compound ID
CP0199101
Compound Name
N-(6-pyridin-3-yloxypyridin-3-yl)-1H-indole-3-carboxamide
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Structure
Formula
C19H14N4O2
Molecular Weight
330.347
Canonical SMILES
O=C(Nc1ccc(Oc2cccnc2)nc1)c1c[nH]c2ccccc12
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InChI
InChI=1S/C19H14N4O2/c24-19(16-12-21-17-6-2-1-5-15(16)17)23-13-7-8-18(22-10-13)25-14-4-3-9-20-11-14/h1-12,21H,(H,23,24)
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InChIKey
BVEOZKOLIKNPKQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.0025
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
79.9
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 44250364
SID: 85284310
ChEMBL ID
CHEMBL479952
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 = 1.6 nM
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