General Information of the Compound
| Compound ID |
CP0914442
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[(1R)-1-(3-Phenylazetidin-1-yl)ethyl]-1-tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25N5O2
|
||||||||||||||||||
| Molecular Weight |
379.464
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(c2ccccc2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25N5O2/c1-14(25-12-16(13-25)15-5-3-2-4-6-15)19-23-20-18(21(27)24-19)11-22-26(20)17-7-9-28-10-8-17/h2-6,11,14,16-17H,7-10,12-13H2,1H3,(H,23,24,27)/t14-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YXFFJIRNASUZLY-CQSZACIVSA-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