General Information of the Compound
Compound ID
CP0380957
Compound Name
4-(3-methyl-1-phenylpyrazol-4-yl)quinoline
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Structure
Formula
C19H15N3
Molecular Weight
285.35
Canonical SMILES
Cc1nn(cc1-c1ccnc2ccccc12)-c1ccccc1
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InChI
InChI=1S/C19H15N3/c1-14-18(13-22(21-14)15-7-3-2-4-8-15)16-11-12-20-19-10-6-5-9-17(16)19/h2-13H,1H3
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InChIKey
VOGKDWAYBUFNED-UHFFFAOYSA-N
Physicochemical Property
logP
4.39592
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
30.71
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 70687762
ChEMBL ID
CHEMBL2023451
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: PT02199, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000051 BHK-21 Mesocricetus auratus (Golden hamster)  1
1
EC50 = 480 nM
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