General Information of the Compound
| Compound ID |
CP0045224
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-4-(4-fluorophenethyl)-1-(6-((4-(trifluoromethyl)piperidin-1-yl)methyl)-1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H35F4N3O
|
||||||||||||||||||
| Molecular Weight |
517.611
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(CCN2CCN([C@H]3CCc4cc(CN5CCC(CC5)C(F)(F)F)ccc4C3)C(=O)C2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H35F4N3O/c30-26-6-2-21(3-7-26)9-12-35-15-16-36(28(37)20-35)27-8-5-23-17-22(1-4-24(23)18-27)19-34-13-10-25(11-14-34)29(31,32)33/h1-4,6-7,17,25,27H,5,8-16,18-20H2/t27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FKGZUCNTGAPMBO-MHZLTWQESA-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