General Information of the Compound
Compound ID
CP0526653
Compound Name
N-cyclohexyl-6-(2-methoxyethoxy)pyrido[3,4-d]pyrimidin-4-amine
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Structure
Formula
C16H22N4O2
Molecular Weight
302.378
Canonical SMILES
COCCOc1cc2c(NC3CCCCC3)ncnc2cn1
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InChI
InChI=1S/C16H22N4O2/c1-21-7-8-22-15-9-13-14(10-17-15)18-11-19-16(13)20-12-5-3-2-4-6-12/h9-12H,2-8H2,1H3,(H,18,19,20)
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InChIKey
WWFOQFMRWGOZSM-UHFFFAOYSA-N
Physicochemical Property
logP
2.7946
Rotatable Bonds
6
Heavy Atom Count
22
Polar Areas
69.16
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
22

"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: 44592033
ChEMBL ID
CHEMBL471666
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 = 101 nM
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