General Information of the Compound
| Compound ID |
CP0485369
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(4-chlorophenoxy)ethyl]-2-nitro-5-piperazin-1-ylaniline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H21ClN4O3
|
||||||||||||||||||
| Molecular Weight |
376.844
|
||||||||||||||||||
| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1NCCOc1ccc(Cl)cc1)N1CCNCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H21ClN4O3/c19-14-1-4-16(5-2-14)26-12-9-21-17-13-15(3-6-18(17)23(24)25)22-10-7-20-8-11-22/h1-6,13,20-21H,7-12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
MJYMQPLZJNMTDN-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