General Information of the Compound
| Compound ID |
CP0498951
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
propan-2-yl 4-[6-(2-fluoro-4-methylsulfonylphenoxy)pyrimidin-4-yl]oxypiperidine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H24FN3O6S
|
||||||||||||||||||
| Molecular Weight |
453.492
|
||||||||||||||||||
| Canonical SMILES |
CC(C)OC(=O)N1CCC(CC1)Oc1cc(Oc2ccc(cc2F)S(C)(=O)=O)ncn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H24FN3O6S/c1-13(2)28-20(25)24-8-6-14(7-9-24)29-18-11-19(23-12-22-18)30-17-5-4-15(10-16(17)21)31(3,26)27/h4-5,10-14H,6-9H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MKNCGRCCAUELJE-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"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). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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
Protein ID: PT02398, Glucose-dependent insulinotropic receptor