General Information of the Compound
| Compound ID |
CP0146996
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3-propan-2-ylphenyl)-3-[4-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)phenyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20N6O2
|
||||||||||||||||||
| Molecular Weight |
388.431
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1cccc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20N6O2/c1-13(2)14-4-3-5-16(10-14)26-21(28)25-15-6-8-17(9-7-15)29-20-18-11-24-27-19(18)22-12-23-20/h3-13H,1-2H3,(H2,25,26,28)(H,22,23,24,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FLGQCNMOCNDXHW-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