General Information of the Compound
| Compound ID |
CP0448583
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(5,6-Dichloro-1H-benzoimidazol-2-ylsulfanyl)-1-(3,4-dihydroxy-phenyl)-ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H10Cl2N2O3S
|
||||||||||||||||||
| Molecular Weight |
369.229
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(cc1O)C(=O)CSc1nc2cc(Cl)c(Cl)cc2[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H10Cl2N2O3S/c16-8-4-10-11(5-9(8)17)19-15(18-10)23-6-14(22)7-1-2-12(20)13(21)3-7/h1-5,20-21H,6H2,(H,18,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ROGWEJHGBVIIGH-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