General Information of the Compound
Compound ID
CP0550763
Compound Name
7-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-6-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione
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Structure
Formula
C19H21N5O4
Molecular Weight
383.408
Canonical SMILES
COc1ccc(OC2CCN(CC2)c2nc3[nH]c(=O)[nH]c(=O)c3cc2C)cn1
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InChI
InChI=1S/C19H21N5O4/c1-11-9-14-16(22-19(26)23-18(14)25)21-17(11)24-7-5-12(6-8-24)28-13-3-4-15(27-2)20-10-13/h3-4,9-10,12H,5-8H2,1-2H3,(H2,21,22,23,25,26)
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InChIKey
VOJFYTFIOUYKMO-UHFFFAOYSA-N
Physicochemical Property
logP
1.37122
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
113.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
28

"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: 135171475
ChEMBL ID
CHEMBL4208024
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: PT01156, Muscarinic acetylcholine receptor M4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 18 nM
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