General Information of the Compound
| Compound ID |
CP0480269
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-chlorophenoxy)-1-[4-(3-nitrophenyl)piperazin-1-yl]ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H18ClN3O4
|
||||||||||||||||||
| Molecular Weight |
375.812
|
||||||||||||||||||
| Canonical SMILES |
[O-][N+](=O)c1cccc(c1)N1CCN(CC1)C(=O)COc1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H18ClN3O4/c19-14-4-6-17(7-5-14)26-13-18(23)21-10-8-20(9-11-21)15-2-1-3-16(12-15)22(24)25/h1-7,12H,8-11,13H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
XRYMXOZAHHKGHM-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