General Information of the Compound
| Compound ID |
CP0431623
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3,4-dihydroxy-5-methoxyphenyl)-2-nitro-4-phenylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H16N2O6
|
||||||||||||||||||
| Molecular Weight |
380.356
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(NC(=O)c2ccc(cc2[N+]([O-])=O)-c2ccccc2)cc(O)c1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H16N2O6/c1-28-18-11-14(10-17(23)19(18)24)21-20(25)15-8-7-13(9-16(15)22(26)27)12-5-3-2-4-6-12/h2-11,23-24H,1H3,(H,21,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FZYCTQILRVYTSB-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