General Information of the Compound
| Compound ID |
CP0397134
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-(3-acetylphenyl)-2-nitrophenyl]-3,4,5-trihydroxybenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H16N2O7
|
||||||||||||||||||
| Molecular Weight |
408.366
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)c1cccc(c1)-c1ccc(NC(=O)c2cc(O)c(O)c(O)c2)c(c1)[N+]([O-])=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H16N2O7/c1-11(24)12-3-2-4-13(7-12)14-5-6-16(17(8-14)23(29)30)22-21(28)15-9-18(25)20(27)19(26)10-15/h2-10,25-27H,1H3,(H,22,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BWNAIPSHBVYRLI-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