General Information of the Compound
| Compound ID |
CP0080132
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Chloro-5-(3-chloro-5-fluorophenoxy)-2,2-difluoro- 3-hydroxy-2,3-dihydrobenzo[b]thiophene 1,1-dioxide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H7Cl2F3O4S
|
||||||||||||||||||
| Molecular Weight |
399.173
|
||||||||||||||||||
| Canonical SMILES |
OC1c2c(ccc(Oc3cc(F)cc(Cl)c3)c2Cl)S(=O)(=O)C1(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H7Cl2F3O4S/c15-6-3-7(17)5-8(4-6)23-9-1-2-10-11(12(9)16)13(20)14(18,19)24(10,21)22/h1-5,13,20H
Show/Hide
|
||||||||||||||||||
| InChIKey |
SPOHUQUKAIBKHQ-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