General Information of the Compound
| Compound ID |
CP0460707
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,3S,5R)-8-(cyclopropylsulfonyl)-6-fluoro-3-(5-methyl-6-(2-methylpyridin-3-yloxy)pyrimidin-4-yloxy)-8-azabicyclo[3.2.1]octane
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25FN4O4S
|
||||||||||||||||||
| Molecular Weight |
448.52
|
||||||||||||||||||
| Canonical SMILES |
Cc1ncccc1Oc1ncnc(O[C@H]2C[C@@H]3CC(F)[C@@H](C2)N3S(=O)(=O)C2CC2)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25FN4O4S/c1-12-20(24-11-25-21(12)30-19-4-3-7-23-13(19)2)29-15-8-14-9-17(22)18(10-15)26(14)31(27,28)16-5-6-16/h3-4,7,11,14-18H,5-6,8-10H2,1-2H3/t14-,15+,17?,18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JEMAKXAATWANMD-HLVPYZJISA-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