General Information of the Compound
| Compound ID |
CP0480426
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-tert-butyl-3-[5-cyano-2-(4-iodophenoxy)phenyl]sulfonylurea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H18IN3O4S
|
||||||||||||||||||
| Molecular Weight |
499.33
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)NC(=O)NS(=O)(=O)c1cc(ccc1Oc1ccc(I)cc1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H18IN3O4S/c1-18(2,3)21-17(23)22-27(24,25)16-10-12(11-20)4-9-15(16)26-14-7-5-13(19)6-8-14/h4-10H,1-3H3,(H2,21,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KBUDYLOHLBGPNA-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