General Information of the Compound
| Compound ID |
CP0144570
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25F3N2O3
|
||||||||||||||||||
| Molecular Weight |
410.436
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)N1CCN(C[C@H](O)COc2ccc(cc2)C(F)(F)F)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25F3N2O3/c1-28-20-4-2-3-17(13-20)26-11-9-25(10-12-26)14-18(27)15-29-19-7-5-16(6-8-19)21(22,23)24/h2-8,13,18,27H,9-12,14-15H2,1H3/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RWBIDZOJLVFIDZ-SFHVURJKSA-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