General Information of the Compound
| Compound ID |
CP0008703
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3,3-difluorocyclobutyl)-[(3S)-3-[9-ethyl-8-(2-methylpyrimidin-5-yl)purin-6-yl]oxypyrrolidin-1-yl]methanone
Show/Hide
|
||||||||||||||||||
| Formula |
C21H23F2N7O2
|
||||||||||||||||||
| Molecular Weight |
443.458
|
||||||||||||||||||
| Canonical SMILES |
CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC(F)(F)C3)ncnc12)-c1cnc(C)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23F2N7O2/c1-3-30-17(14-8-24-12(2)25-9-14)28-16-18(30)26-11-27-19(16)32-15-4-5-29(10-15)20(31)13-6-21(22,23)7-13/h8-9,11,13,15H,3-7,10H2,1-2H3/t15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CZAOLJRNHMCVOG-HNNXBMFYSA-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