General Information of the Compound
| Compound ID |
CP0875593
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(1-{3-[(3-methylquinoxalin-2-yl)oxy]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 |
C24H27N7O3
|
||||||||||||||||||
| Molecular Weight |
461.526
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc2ccccc2nc1OC1CN(C(C)c2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27N7O3/c1-14-24(27-20-6-4-3-5-19(20)26-14)34-17-12-30(13-17)15(2)21-28-22-18(23(32)29-21)11-25-31(22)16-7-9-33-10-8-16/h3-6,11,15-17H,7-10,12-13H2,1-2H3,(H,28,29,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BPXQKWFPFLSVKO-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