General Information of the Compound
Compound ID
CP0103939
Compound Name
ethyl 4-[4-(2-fluorophenyl)piperazin-1-yl]-8-methoxyquinoline-3-carboxylate
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Structure
Formula
C23H24FN3O3
Molecular Weight
409.461
Canonical SMILES
CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(CC1)c1ccccc1F
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InChI
InChI=1S/C23H24FN3O3/c1-3-30-23(28)17-15-25-21-16(7-6-10-20(21)29-2)22(17)27-13-11-26(12-14-27)19-9-5-4-8-18(19)24/h4-10,15H,3,11-14H2,1-2H3
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InChIKey
FGIYNSOZTOFNTM-UHFFFAOYSA-N
Physicochemical Property
logP
3.8858
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
54.9
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
30

"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: 17757064
ChEMBL ID
CHEMBL1527295
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
IC50 = 6100 nM
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