General Information of the Compound
| Compound ID |
CP0798177
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(2-Chloro-4-fluorobenzyl)-2-(3,4-dimethoxyphenyl)-1,1-dioxo-1,4-dihydro-2H-1lambda'6'-benzo[1,2,4]thiadiazin-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H18ClFN2O5S
|
||||||||||||||||||
| Molecular Weight |
476.913
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(N2C(=O)N(Cc3ccc(F)cc3Cl)c3ccccc3S2(=O)=O)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H18ClFN2O5S/c1-30-19-10-9-16(12-20(19)31-2)26-22(27)25(13-14-7-8-15(24)11-17(14)23)18-5-3-4-6-21(18)32(26,28)29/h3-12H,13H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OHAVYOCIKFHDIB-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