General Information of the Compound
| Compound ID |
CP0708064
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(tetrahydro-2H-pyran-4-yl)-6-{1-[3-(2,4,5-trifluorophenoxy)azetidin-1-yl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, trifluoroacetate salt
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23F6N5O5
|
||||||||||||||||||
| Molecular Weight |
563.455
|
||||||||||||||||||
| Canonical SMILES |
CC(c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(Oc2cc(F)c(F)cc2F)C1.O=C(O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22F3N5O3.C2HF3O2/c1-11(28-9-13(10-28)32-18-7-16(23)15(22)6-17(18)24)19-26-20-14(21(30)27-19)8-25-29(20)12-2-4-31-5-3-12;3-2(4,5)1(6)7/h6-8,11-13H,2-5,9-10H2,1H3,(H,26,27,30);(H,6,7)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DQEVDVMWBXOCDK-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