General Information of the Compound
| Compound ID |
CP0186429
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-(4-methoxyphenyl)ethyl]-4-[2-(4-nitrophenyl)ethyl]piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H27N3O3
|
||||||||||||||||||
| Molecular Weight |
369.465
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CCN2CCN(CCc3ccc(cc3)[N+]([O-])=O)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H27N3O3/c1-27-21-8-4-19(5-9-21)11-13-23-16-14-22(15-17-23)12-10-18-2-6-20(7-3-18)24(25)26/h2-9H,10-17H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SNEMPWMSVQKNRJ-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