General Information of the Compound
| Compound ID |
CP0308404
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-{4-[1-(1-Benzylpiperidin-4-yl)-4-morpholin-4-yl-1H-pyrazolo-[3,4-d]pyrimidin-6-yl]phenyl}-3-cyclopropylurea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H36N8O2
|
||||||||||||||||||
| Molecular Weight |
552.683
|
||||||||||||||||||
| Canonical SMILES |
O=C(NC1CC1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H36N8O2/c40-31(34-25-10-11-25)33-24-8-6-23(7-9-24)28-35-29(38-16-18-41-19-17-38)27-20-32-39(30(27)36-28)26-12-14-37(15-13-26)21-22-4-2-1-3-5-22/h1-9,20,25-26H,10-19,21H2,(H2,33,34,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DJVVXKDLVNGSNI-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