General Information of the Compound
| Compound ID |
CP0841616
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-{1-[3-(phthalazin-1-yloxy)azetidin-1-yl]ethyl}-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25N7O3
|
||||||||||||||||||
| Molecular Weight |
447.499
|
||||||||||||||||||
| Canonical SMILES |
CC(c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(Oc2nncc3ccccc23)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25N7O3/c1-14(29-12-17(13-29)33-23-18-5-3-2-4-15(18)10-24-28-23)20-26-21-19(22(31)27-20)11-25-30(21)16-6-8-32-9-7-16/h2-5,10-11,14,16-17H,6-9,12-13H2,1H3,(H,26,27,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GQYLACQWVBOFBB-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