General Information of the Compound
| Compound ID |
CP0492075
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-(4-(2,4-dichlorobenzyloxy)pyrimidin-2-yl)piperazin-1-yl)(pyridin-3-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H19Cl2N5O2
|
||||||||||||||||||
| Molecular Weight |
444.322
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(COc2ccnc(n2)N2CCN(CC2)C(=O)c2cccnc2)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H19Cl2N5O2/c22-17-4-3-16(18(23)12-17)14-30-19-5-7-25-21(26-19)28-10-8-27(9-11-28)20(29)15-2-1-6-24-13-15/h1-7,12-13H,8-11,14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
SHZZAYXDCOOUSA-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