General Information of the Compound
Compound ID
CP0850615
Compound Name
4-(6-(phenoxymethyl)-2-(pyridin-2-yl)pyrimidin-4-yl)morpholine
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Structure
Formula
C20H20N4O2
Molecular Weight
348.406
Canonical SMILES
c1ccc(OCc2cc(N3CCOCC3)nc(-c3ccccn3)n2)cc1
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InChI
InChI=1S/C20H20N4O2/c1-2-6-17(7-3-1)26-15-16-14-19(24-10-12-25-13-11-24)23-20(22-16)18-8-4-5-9-21-18/h1-9,14H,10-13,15H2
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InChIKey
USIXHXOJMBSZBK-UHFFFAOYSA-N
Physicochemical Property
logP
2.9542
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
60.37
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
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).

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PubChem ID
CID: 58137077
ChEMBL ID
CHEMBL3739715
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: PT02793, Free fatty acid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000088 Flp-In-293 Homo sapiens (Human)  1
1
IC50 = 630.96 nM
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