General Information of the Compound
| Compound ID |
CP0448378
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-(4-benzyl-4-hydroxypiperidin-1-yl)ethyl]-3-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H30N6O2
|
||||||||||||||||||
| Molecular Weight |
422.533
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(NC(=O)NCCN2CCC(O)(Cc3ccccc3)CC2)c2cnn(C)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H30N6O2/c1-17-14-20(19-16-25-28(2)21(19)26-17)27-22(30)24-10-13-29-11-8-23(31,9-12-29)15-18-6-4-3-5-7-18/h3-7,14,16,31H,8-13,15H2,1-2H3,(H2,24,26,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FKVKKUVGZUOHIO-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