General Information of the Compound
| Compound ID |
CP0386461
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[[(1S,4R)-2-fluoro-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl]methylsulfonyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H27F4N3O2S
|
||||||||||||||||||
| Molecular Weight |
449.514
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(F)C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H27F4N3O2S/c1-18(2)14-5-6-19(18,16(21)11-14)13-30(28,29)27-9-7-26(8-10-27)17-4-3-15(12-25-17)20(22,23)24/h3-4,12,14,16H,5-11,13H2,1-2H3/t14-,16?,19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DKOQRQBPZWINDK-WDOBJEIGSA-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