General Information of the Compound
| Compound ID |
CP0389131
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2,4-Dichlorophenyl)- 3-(1-(2-(piperidin-1- yl)ethyl)-1H- pyrazolo[3,4- d]pyrimidin-4-yl)urea hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H21Cl2N7O
|
||||||||||||||||||
| Molecular Weight |
434.331
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(NC(=O)Nc2ncnc3n(CCN4CCCCC4)ncc23)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H21Cl2N7O/c20-13-4-5-16(15(21)10-13)25-19(29)26-17-14-11-24-28(18(14)23-12-22-17)9-8-27-6-2-1-3-7-27/h4-5,10-12H,1-3,6-9H2,(H2,22,23,25,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NMBXBYQFOCWSDR-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