General Information of the Compound
| Compound ID |
CP0542592
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 1-[6-[4-(2-methoxyethoxy)phenoxy]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26N4O7
|
||||||||||||||||||
| Molecular Weight |
446.46
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)C1CCN(CC1)c1ncnc(Oc2ccc(OCCOC)cc2)c1[N+]([O-])=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26N4O7/c1-3-30-21(26)15-8-10-24(11-9-15)19-18(25(27)28)20(23-14-22-19)32-17-6-4-16(5-7-17)31-13-12-29-2/h4-7,14-15H,3,8-13H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WJXYIQLAOGCMND-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