General Information of the Compound
| Compound ID |
CP0507181
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-(2-fluoro-4-methylsulfonylphenyl)-4-[1-(1,4,5,6-tetrahydropyrimidin-2-yl)piperidin-4-yl]oxy-5,6-dihydropyrrolo[2,3-d]pyrimidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27FN6O3S
|
||||||||||||||||||
| Molecular Weight |
474.562
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)c1ccc(N2CCc3c2ncnc3OC2CCN(CC2)C2=NCCCN2)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27FN6O3S/c1-33(30,31)16-3-4-19(18(23)13-16)29-12-7-17-20(29)26-14-27-21(17)32-15-5-10-28(11-6-15)22-24-8-2-9-25-22/h3-4,13-15H,2,5-12H2,1H3,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MXBGPRDNTMKUEO-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