General Information of the Compound
| Compound ID |
CP0577881
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2,3-dichlorophenyl)-3-(8-hydroxy-1,1,4-trioxo-2,3-dihydrothiochromen-7-yl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H12Cl2N2O5S
|
||||||||||||||||||
| Molecular Weight |
415.254
|
||||||||||||||||||
| Canonical SMILES |
Oc1c(NC(=O)Nc2cccc(Cl)c2Cl)ccc2C(=O)CCS(=O)(=O)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H12Cl2N2O5S/c17-9-2-1-3-10(13(9)18)19-16(23)20-11-5-4-8-12(21)6-7-26(24,25)15(8)14(11)22/h1-5,22H,6-7H2,(H2,19,20,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NGXKOYMENUTVTF-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 | |||||||||||||||||||
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