General Information of the Compound
| Compound ID |
CP0477336
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl] 4-piperidin-1-ylpiperidine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26ClN3O2S
|
||||||||||||||||||
| Molecular Weight |
419.978
|
||||||||||||||||||
| Canonical SMILES |
Cc1sc(nc1OC(=O)N1CCC(CC1)N1CCCCC1)-c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26ClN3O2S/c1-15-19(23-20(28-15)16-5-7-17(22)8-6-16)27-21(26)25-13-9-18(10-14-25)24-11-3-2-4-12-24/h5-8,18H,2-4,9-14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WUAWBTURKNWKIH-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