General Information of the Compound
Compound ID
CP0220713
Compound Name
propan-2-yl 4-[5-methyl-6-(2-methylpyridin-3-yl)oxypyrimidin-4-yl]oxypiperidine-1-carboxylate
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Structure
Formula
C20H26N4O4
Molecular Weight
386.452
Canonical SMILES
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc(Oc2cccnc2C)c1C
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InChI
InChI=1S/C20H26N4O4/c1-13(2)26-20(25)24-10-7-16(8-11-24)27-18-14(3)19(23-12-22-18)28-17-6-5-9-21-15(17)4/h5-6,9,12-13,16H,7-8,10-11H2,1-4H3
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InChIKey
YHKUMVXEUWUPKX-UHFFFAOYSA-N
Physicochemical Property
logP
3.66894
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
86.67
Hydrogen Bond Donor Count
0
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: 16036825
SID: 24419316
ChEMBL ID
CHEMBL1766081
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: PT02455, Glucose-dependent insulinotropic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 15 nM
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