General Information of the Compound
Compound ID
CP0486623
Compound Name
8-(4,4-difluoropiperidin-1-yl)-4-[4-(2-fluorophenyl)piperazin-1-yl]quinoline-3-carbonitrile
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Formula
C25H24F3N5
Molecular Weight
451.496
Canonical SMILES
Fc1ccccc1N1CCN(CC1)c1c(cnc2c(cccc12)N1CCC(F)(F)CC1)C#N
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InChI
InChI=1S/C25H24F3N5/c26-20-5-1-2-6-21(20)32-12-14-33(15-13-32)24-18(16-29)17-30-23-19(24)4-3-7-22(23)31-10-8-25(27,28)9-11-31/h1-7,17H,8-15H2
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InChIKey
WCKBDTFOHXJHLZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.80768
Rotatable Bonds
3
Heavy Atom Count
33
Polar Areas
46.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
33

"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
CHEMBL4776529
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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