General Information of the Compound
Compound ID
CP0486621
Compound Name
4-[4-(2-fluorophenyl)piperazin-1-yl]-8-hydroxyquinoline-3-carbonitrile
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Formula
C20H17FN4O
Molecular Weight
348.381
Canonical SMILES
Oc1cccc2c(N3CCN(CC3)c3ccccc3F)c(cnc12)C#N
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InChI
InChI=1S/C20H17FN4O/c21-16-5-1-2-6-17(16)24-8-10-25(11-9-24)20-14(12-22)13-23-19-15(20)4-3-7-18(19)26/h1-7,13,26H,8-11H2
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InChIKey
AIUNEQKZAPFXQN-UHFFFAOYSA-N
Physicochemical Property
logP
3.27778
Rotatable Bonds
2
Heavy Atom Count
26
Polar Areas
63.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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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ChEMBL ID
CHEMBL4778165
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: PT03457, Metabotropic glutamate receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 > 10000 nM
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