General Information of the Compound
| Compound ID |
CP0423686
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(2-methylphenyl)sulfonylpiperidine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25N3O4S2
|
||||||||||||||||||
| Molecular Weight |
471.604
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1csc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2C)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25N3O4S2/c1-16-7-3-4-9-21(16)32(28,29)26-14-6-5-8-20(26)22(27)25-23-24-19(15-31-23)17-10-12-18(30-2)13-11-17/h3-4,7,9-13,15,20H,5-6,8,14H2,1-2H3,(H,24,25,27)/t20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PHZNXLUFAOGZJS-HXUWFJFHSA-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