General Information of the Compound
| Compound ID |
CP0904259
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-(4-methylpiperidin-1-ylsulfonyl)phenyl)-5-nitrofuran-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H19N3O6S
|
||||||||||||||||||
| Molecular Weight |
393.421
|
||||||||||||||||||
| Canonical SMILES |
CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H19N3O6S/c1-12-8-10-19(11-9-12)27(24,25)14-4-2-13(3-5-14)18-17(21)15-6-7-16(26-15)20(22)23/h2-7,12H,8-11H2,1H3,(H,18,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IAFISENFAVDZTC-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: PT06113, DNA damage-inducible transcript 3 protein
Protein ID: PT06096, X-box-binding protein 1