General Information of the Compound
| Compound ID |
CP0375029
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1-methylcyclopropyl) 7-[6-(2-fluoro-4-methylsulfonylanilino)-5-methylpyrimidin-4-yl]oxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H29FN4O6S
|
||||||||||||||||||
| Molecular Weight |
520.583
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(Nc2ccc(cc2F)S(C)(=O)=O)ncnc1OC1CC2COCC(C1)N2C(=O)OC1(C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H29FN4O6S/c1-14-21(28-20-5-4-18(10-19(20)25)36(3,31)32)26-13-27-22(14)34-17-8-15-11-33-12-16(9-17)29(15)23(30)35-24(2)6-7-24/h4-5,10,13,15-17H,6-9,11-12H2,1-3H3,(H,26,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MLASPWOAHBDBIF-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