General Information of the Compound
| Compound ID |
CP0390126
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-cyano-N-(4-phenoxyphenyl)-N-(2-phenylethyl)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H22N2O3S
|
||||||||||||||||||
| Molecular Weight |
454.551
|
||||||||||||||||||
| Canonical SMILES |
O=S(=O)(N(CCc1ccccc1)c1ccc(Oc2ccccc2)cc1)c1ccc(cc1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H22N2O3S/c28-21-23-11-17-27(18-12-23)33(30,31)29(20-19-22-7-3-1-4-8-22)24-13-15-26(16-14-24)32-25-9-5-2-6-10-25/h1-18H,19-20H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
GQQJUHYWLOYEIJ-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