General Information of the Compound
| Compound ID |
CP0090336
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[(4-methoxyphenoxy)methyl]-N-(4-nitro-1-pyrazolyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H16N4O5
|
||||||||||||||||||
| Molecular Weight |
368.349
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(OCc2cccc(c2)C(=O)Nn2cc(cn2)[N+]([O-])=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16N4O5/c1-26-16-5-7-17(8-6-16)27-12-13-3-2-4-14(9-13)18(23)20-21-11-15(10-19-21)22(24)25/h2-11H,12H2,1H3,(H,20,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KZASASKOUULWBZ-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