General Information of the Compound
| Compound ID |
CP0523379
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R)-1-(4-tert-butylphenyl)sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H31N3O4S2
|
||||||||||||||||||
| Molecular Weight |
513.685
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)-c1csc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(cc2)C(C)(C)C)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H31N3O4S2/c1-26(2,3)19-10-14-21(15-11-19)35(31,32)29-16-6-5-7-23(29)24(30)28-25-27-22(17-34-25)18-8-12-20(33-4)13-9-18/h8-15,17,23H,5-7,16H2,1-4H3,(H,27,28,30)/t23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OQLFDDLSQGEIBA-HSZRJFAPSA-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