General Information of the Compound
| Compound ID |
CP0522188
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Benzo[4,5]imidazo[2,1-b]thiazol-3-ylmethyl-1,3-dicyclohexyl-isothiourea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H30N4S2
|
||||||||||||||||||
| Molecular Weight |
426.655
|
||||||||||||||||||
| Canonical SMILES |
C(S\C(NC1CCCCC1)=N/C1CCCCC1)c1csc2nc3ccccc3n12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H30N4S2/c1-3-9-17(10-4-1)24-22(25-18-11-5-2-6-12-18)28-15-19-16-29-23-26-20-13-7-8-14-21(20)27(19)23/h7-8,13-14,16-18H,1-6,9-12,15H2,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DZBSPIWZRFQKFV-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