General Information of the Compound
Compound ID
CP0504841
Compound Name
N-cyclohexyl-6-(2-morpholin-4-ylethoxy)pyrido[3,4-d]pyrimidin-4-amine
    Show/Hide
Structure
Formula
C19H27N5O2
Molecular Weight
357.458
Canonical SMILES
C(CN1CCOCC1)Oc1cc2c(NC3CCCCC3)ncnc2cn1
    Show/Hide
InChI
InChI=1S/C19H27N5O2/c1-2-4-15(5-3-1)23-19-16-12-18(20-13-17(16)21-14-22-19)26-11-8-24-6-9-25-10-7-24/h12-15H,1-11H2,(H,21,22,23)
    Show/Hide
InChIKey
PJHUTKRXKQILPQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.4804
Rotatable Bonds
6
Heavy Atom Count
26
Polar Areas
72.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44592073
ChEMBL ID
CHEMBL512523
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: PT02444, Metabotropic glutamate receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 42 nM
   TI
   LI
   LO
   TS