General Information of the Compound
| Compound ID |
CP0362332
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)-3-(6-(dimethylamino)pyridin-3-yl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H31N9O2
|
||||||||||||||||||
| Molecular Weight |
513.606
|
||||||||||||||||||
| Canonical SMILES |
CCn1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(nc2)N(C)C)cc1)N1CC2CCC(C1)O2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31N9O2/c1-4-36-26-22(14-29-36)25(35-15-20-10-11-21(16-35)38-20)32-24(33-26)17-5-7-18(8-6-17)30-27(37)31-19-9-12-23(28-13-19)34(2)3/h5-9,12-14,20-21H,4,10-11,15-16H2,1-3H3,(H2,30,31,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZRLCNRCZZGRZFX-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