General Information of the Compound
| Compound ID |
CP0921749
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(3-chloro-4-cyanophenoxy)-3-cyano-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H8ClN5O3S2
|
||||||||||||||||||
| Molecular Weight |
417.859
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1ccc(Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H8ClN5O3S2/c17-14-6-12(2-1-10(14)7-18)25-15-4-3-13(5-11(15)8-19)27(23,24)22-16-20-9-21-26-16/h1-6,9H,(H,20,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GEJLQXPSPBOYOB-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