General Information of the Compound
Compound ID
CP0867803
Compound Name
N-(4-((6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl)methoxy)phenyl)acetamide
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Structure
Formula
C19H18N4O2
Molecular Weight
334.379
Canonical SMILES
CC(=O)Nc1ccc(OCc2cc(C)nc(-c3ccccn3)n2)cc1
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InChI
InChI=1S/C19H18N4O2/c1-13-11-16(23-19(21-13)18-5-3-4-10-20-18)12-25-17-8-6-15(7-9-17)22-14(2)24/h3-11H,12H2,1-2H3,(H,22,24)
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InChIKey
ULXKFBIGFZHKFP-UHFFFAOYSA-N
Physicochemical Property
logP
3.38442
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
77
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 127042704
ChEMBL ID
CHEMBL3739473
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 > 39810.72 nM
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