General Information of the Compound
| Compound ID |
CP0416878
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-bromo-2-ethylphenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H16BrN3S2
|
||||||||||||||||||
| Molecular Weight |
394.363
|
||||||||||||||||||
| Canonical SMILES |
CCc1cc(Br)ccc1Nc1nc(cs1)-c1sc(C)nc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H16BrN3S2/c1-4-11-7-12(17)5-6-13(11)19-16-20-14(8-21-16)15-9(2)18-10(3)22-15/h5-8H,4H2,1-3H3,(H,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BZUIHDMPMIWGET-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