General Information of the Compound
| Compound ID |
CP0847541
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,5S)-2,2,2-trifluoroethyl 3-(5-methyl-6-(2-methylpyridin-3-yloxy)pyrimidin-4-yloxy)-8-azabicyclo[3.2.1]octane-8-carboxylate
Show/Hide
|
||||||||||||||||||
| Formula |
C21H23F3N4O4
|
||||||||||||||||||
| Molecular Weight |
452.433
|
||||||||||||||||||
| Canonical SMILES |
Cc1ncccc1Oc1ncnc(O[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OCC(F)(F)F)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23F3N4O4/c1-12-18(26-11-27-19(12)32-17-4-3-7-25-13(17)2)31-16-8-14-5-6-15(9-16)28(14)20(29)30-10-21(22,23)24/h3-4,7,11,14-16H,5-6,8-10H2,1-2H3/t14-,15+,16+
Show/Hide
|
||||||||||||||||||
| InChIKey |
PTRHKBLJKYCVLV-ZSHCYNCHSA-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 | |||||||||||||||||||
| 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