General Information of the Compound
| Compound ID |
CP0486194
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4-(1H-imidazol-1-yl)phenoxy)-2-(benzo[d][1,3]dioxol-5-ylmethyl)-6-chloropyrimidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H15ClN4O3
|
||||||||||||||||||
| Molecular Weight |
406.829
|
||||||||||||||||||
| Canonical SMILES |
Clc1cc(Oc2ccc(cc2)-n2ccnc2)nc(Cc2ccc3OCOc3c2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H15ClN4O3/c22-19-11-21(29-16-4-2-15(3-5-16)26-8-7-23-12-26)25-20(24-19)10-14-1-6-17-18(9-14)28-13-27-17/h1-9,11-12H,10,13H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
UWYBYGPZJAMGQU-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