General Information of the Compound
Compound ID
CP0409050
Compound Name
7-phenylmethoxy-4-(1-phenylpyrazol-4-yl)quinoline
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Structure
Formula
C25H19N3O
Molecular Weight
377.447
Canonical SMILES
C(Oc1ccc2c(ccnc2c1)-c1cnn(c1)-c1ccccc1)c1ccccc1
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InChI
InChI=1S/C25H19N3O/c1-3-7-19(8-4-1)18-29-22-11-12-24-23(13-14-26-25(24)15-22)20-16-27-28(17-20)21-9-5-2-6-10-21/h1-17H,18H2
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InChIKey
ULOSWQLZXFWNJV-UHFFFAOYSA-N
Physicochemical Property
logP
5.6665
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
39.94
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 70687764
ChEMBL ID
CHEMBL2023460
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 = 640 nM
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