General Information of the Compound
| Compound ID |
CP0858025
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(5,6-dmydro-3H-imidazo[2,1-c]-1,2,4-dithiazol-3-yldiene)-4-chlorobenzamide
Show/Hide
|
||||||||||||||||||
| Formula |
C11H8ClN3OS2
|
||||||||||||||||||
| Molecular Weight |
297.792
|
||||||||||||||||||
| Canonical SMILES |
O=C(/N=C1\SSC2=NCCN21)c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H8ClN3OS2/c12-8-3-1-7(2-4-8)9(16)14-11-15-6-5-13-10(15)17-18-11/h1-4H,5-6H2/b14-11-
Show/Hide
|
||||||||||||||||||
| InChIKey |
VFDNQJRRVOAWRH-KAMYIIQDSA-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 | |||||||||||||||||||
| 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