General Information of the Compound
| Compound ID |
CP0050024
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[2-(2,6-Dichloro-3-methyl-phenylamino)-phenyl]-3H-[1,3,4]thiadiazole-2-thione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H11Cl2N3S2
|
||||||||||||||||||
| Molecular Weight |
368.314
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(Cl)c(Nc2ccccc2-c2nnc(S)s2)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H11Cl2N3S2/c1-8-6-7-10(16)13(12(8)17)18-11-5-3-2-4-9(11)14-19-20-15(21)22-14/h2-7,18H,1H3,(H,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GSDDMNUUKSXZMH-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