General Information of the Compound
| Compound ID |
CP0471362
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(4-methylpiperazin-1-yl)-2-nitro-N-(2-(o-tolyloxy)ethyl)benzenamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H26N4O3
|
||||||||||||||||||
| Molecular Weight |
370.453
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)c1ccc(c(NCCOc2ccccc2C)c1)[N+]([O-])=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H26N4O3/c1-16-5-3-4-6-20(16)27-14-9-21-18-15-17(7-8-19(18)24(25)26)23-12-10-22(2)11-13-23/h3-8,15,21H,9-14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SVNBKPWXQHGFMZ-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