General Information of the Compound
| Compound ID |
CP0431620
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-hydroxy-4-methoxy-N-(2-nitro-4-phenylphenyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H16N2O5
|
||||||||||||||||||
| Molecular Weight |
364.357
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H16N2O5/c1-27-19-10-8-15(12-18(19)23)20(24)21-16-9-7-14(11-17(16)22(25)26)13-5-3-2-4-6-13/h2-12,23H,1H3,(H,21,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HUOKHGKIAMLFBK-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
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02516, Multidrug resistance-associated protein 1