General Information of the Compound
Compound ID
CP0548525
Compound Name
2-[(3-chlorophenyl)methoxy]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
    Show/Hide
Structure
Formula
C15H15ClN2O2
Molecular Weight
290.75
Canonical SMILES
Clc1cccc(COc2cc(=O)n3CCCCc3n2)c1
    Show/Hide
InChI
InChI=1S/C15H15ClN2O2/c16-12-5-3-4-11(8-12)10-20-14-9-15(19)18-7-2-1-6-13(18)17-14/h3-5,8-9H,1-2,6-7,10H2
    Show/Hide
InChIKey
FITAZUAQYYAUHZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.812
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
44.12
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
20

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 137645039
ChEMBL ID
CHEMBL4086495
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: PT00854, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000131 HEK293-F Homo sapiens (Human)  1
1
Ki = 10 nM
   TI
   LI
   LO
   TS