General Information of the Compound
| Compound ID |
CP0301229
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl 4-[5-[(3-methoxypyridin-4-yl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H27N5O4
|
||||||||||||||||||
| Molecular Weight |
401.467
|
||||||||||||||||||
| Canonical SMILES |
COc1cnccc1COc1cnc(nc1)N1CCN(CC1)C(=O)OC(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H27N5O4/c1-20(2,3)29-19(26)25-9-7-24(8-10-25)18-22-11-16(12-23-18)28-14-15-5-6-21-13-17(15)27-4/h5-6,11-13H,7-10,14H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VMXRUYMZWIICAB-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