General Information of the Compound
| Compound ID |
CP0449522
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-benzyl-3-[2-(4-methylanilino)-5-nitrophenyl]sulfonylurea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20N4O5S
|
||||||||||||||||||
| Molecular Weight |
440.481
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(Nc2ccc(cc2S(=O)(=O)NC(=O)NCc2ccccc2)[N+]([O-])=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20N4O5S/c1-15-7-9-17(10-8-15)23-19-12-11-18(25(27)28)13-20(19)31(29,30)24-21(26)22-14-16-5-3-2-4-6-16/h2-13,23H,14H2,1H3,(H2,22,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YWXGCJWOIADHPX-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: PT01819, Thromboxane A2 receptor