General Information of the Compound
| Compound ID |
CP0793581
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-thiochromene-3-carboxylic acid{2-[2-(3,4-dichloro-phenyl)-ethyl]-phenyl}-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H19Cl2NO4S
|
||||||||||||||||||
| Molecular Weight |
488.392
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1ccccc1CCc1ccc(Cl)c(Cl)c1)C1=C(O)c2ccccc2S(=O)(=O)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H19Cl2NO4S/c25-19-12-10-15(13-20(19)26)9-11-16-5-1-3-7-21(16)27-24(29)18-14-32(30,31)22-8-4-2-6-17(22)23(18)28/h1-8,10,12-13,28H,9,11,14H2,(H,27,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WNRJGWUXSJSETO-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