General Information of the Compound
| Compound ID |
CP0544143
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(1S,2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]-4-methylbenzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Formula |
C24H33N3O3S
|
||||||||||||||||||
| Molecular Weight |
443.613
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCN(CC1)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H33N3O3S/c1-19-11-13-20(14-12-19)31(28,29)25-21-7-3-4-8-22(21)26-15-17-27(18-16-26)23-9-5-6-10-24(23)30-2/h5-6,9-14,21-22,25H,3-4,7-8,15-18H2,1-2H3/t21-,22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VPAVKZJYIQXFHA-VXKWHMMOSA-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
Protein ID: PT05965, Mucolipin-1
Protein ID: PT07510, Mucolipin-2
Protein ID: PT06343, Mucolipin-3