General Information of the Compound
| Compound ID |
CP0960214
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9241942, 27-19
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H12N2O4
|
||||||||||||||||||
| Molecular Weight |
260.249
|
||||||||||||||||||
| Canonical SMILES |
Cc1c[nH]c(C)c1-c1cc(C=O)c(O)c([N+](=O)[O-])c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H12N2O4/c1-7-5-14-8(2)12(7)9-3-10(6-16)13(17)11(4-9)15(18)19/h3-6,14,17H,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YMGAYZOOPGLYAG-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