General Information of the Compound
| Compound ID |
CP0488622
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
propan-2-yl 4-[[7-(3-fluoro-4-methylsulfonylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27FN4O5S
|
||||||||||||||||||
| Molecular Weight |
478.546
|
||||||||||||||||||
| Canonical SMILES |
CC(C)OC(=O)N1CCC(CC1)Oc1ncnc2N(CCc12)c1ccc(c(F)c1)S(C)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27FN4O5S/c1-14(2)31-22(28)26-9-6-16(7-10-26)32-21-17-8-11-27(20(17)24-13-25-21)15-4-5-19(18(23)12-15)33(3,29)30/h4-5,12-14,16H,6-11H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZSQFUAXMTVBXLK-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