General Information of the Compound
| Compound ID |
CP0464559
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-cyclohexyl-3-[2-(4-methylphenoxy)-5-nitrophenyl]sulfonylurea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H23N3O6S
|
||||||||||||||||||
| Molecular Weight |
433.486
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(Oc2ccc(cc2S(=O)(=O)NC(=O)NC2CCCCC2)[N+]([O-])=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23N3O6S/c1-14-7-10-17(11-8-14)29-18-12-9-16(23(25)26)13-19(18)30(27,28)22-20(24)21-15-5-3-2-4-6-15/h7-13,15H,2-6H2,1H3,(H2,21,22,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IDPWSIWQGCMVFU-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