General Information of the Compound
| Compound ID |
CP0497477
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-(4-nitrophenyl)ethyl]-4-[(4-nitrophenyl)methyl]piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H22N4O4
|
||||||||||||||||||
| Molecular Weight |
370.409
|
||||||||||||||||||
| Canonical SMILES |
[O-][N+](=O)c1ccc(CCN2CCN(Cc3ccc(cc3)[N+]([O-])=O)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H22N4O4/c24-22(25)18-5-1-16(2-6-18)9-10-20-11-13-21(14-12-20)15-17-3-7-19(8-4-17)23(26)27/h1-8H,9-15H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
PTLAMIULMCOINT-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