General Information of the Compound
Compound ID
CP0390749
Compound Name
4-[2-(1H-imidazol-5-yl)ethylamino]-1-[(2-methoxyphenyl)methyl]pyrimidin-2-one
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Structure
Formula
C17H19N5O2
Molecular Weight
325.372
Canonical SMILES
COc1ccccc1Cn1ccc(NCCc2cnc[nH]2)nc1=O
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InChI
InChI=1S/C17H19N5O2/c1-24-15-5-3-2-4-13(15)11-22-9-7-16(21-17(22)23)19-8-6-14-10-18-12-20-14/h2-5,7,9-10,12H,6,8,11H2,1H3,(H,18,20)(H,19,21,23)
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InChIKey
ZQXUXSWEXYSYLK-UHFFFAOYSA-N
Physicochemical Property
logP
1.6779
Rotatable Bonds
7
Heavy Atom Count
24
Polar Areas
84.83
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
24

"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: 57394625
ChEMBL ID
CHEMBL1916493
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: PT01711, Histamine H4 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 1600 nM
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