General Information of the Compound
| Compound ID |
CP0483531
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[3-[1-[4-chloro-3-(trifluoromethyl)benzoyl]piperidin-4-yl]imidazol-4-yl]phenyl] 3-cyanobenzenesulfonate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H22ClF3N4O4S
|
||||||||||||||||||
| Molecular Weight |
615.033
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cc(ccc1Cl)C(=O)N1CCC(CC1)n1cncc1-c1ccc(OS(=O)(=O)c2cccc(c2)C#N)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H22ClF3N4O4S/c30-26-9-6-21(15-25(26)29(31,32)33)28(38)36-12-10-22(11-13-36)37-18-35-17-27(37)20-4-7-23(8-5-20)41-42(39,40)24-3-1-2-19(14-24)16-34/h1-9,14-15,17-18,22H,10-13H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
MBDOUBSVLDFMDA-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