General Information of the Compound
| Compound ID |
CP0564981
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[3-(cyclobutylmethoxy)piperidin-1-yl]piperidin-1-yl]-N-[(3,5-difluoropyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C25H33F2N5O2S
|
||||||||||||||||||
| Molecular Weight |
505.635
|
||||||||||||||||||
| Canonical SMILES |
Fc1cnc(CNC(=O)c2cnc(s2)N2CCC(CC2)N2CCCC(C2)OCC2CCC2)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H33F2N5O2S/c26-18-11-21(27)22(28-12-18)13-29-24(33)23-14-30-25(35-23)31-9-6-19(7-10-31)32-8-2-5-20(15-32)34-16-17-3-1-4-17/h11-12,14,17,19-20H,1-10,13,15-16H2,(H,29,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JLGCDTMMQVNEKF-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 | |||||||||||||||||||
| 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