General Information of the Compound
| Compound ID |
CP0491854
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(4-chlorophenyl)-3-methyl-N-pentan-3-yl-1,3,4-thiadiazol-2-imine
Show/Hide
|
||||||||||||||||||
| Formula |
C14H18ClN3S
|
||||||||||||||||||
| Molecular Weight |
295.839
|
||||||||||||||||||
| Canonical SMILES |
CCC(CC)\N=c1/sc(nn1C)-c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H18ClN3S/c1-4-12(5-2)16-14-18(3)17-13(19-14)10-6-8-11(15)9-7-10/h6-9,12H,4-5H2,1-3H3/b16-14-
Show/Hide
|
||||||||||||||||||
| InChIKey |
CSYAYZJHCVUALR-PEZBUJJGSA-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