General Information of the Compound
| Compound ID |
CP0500391
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R)-1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H23ClF2N2O2
|
||||||||||||||||||
| Molecular Weight |
396.865
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H](COc1ccc(F)cc1)CN1CCN(Cc2c(F)cccc2Cl)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23ClF2N2O2/c21-19-2-1-3-20(23)18(19)13-25-10-8-24(9-11-25)12-16(26)14-27-17-6-4-15(22)5-7-17/h1-7,16,26H,8-14H2/t16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
POYZVUMNAYLQAL-MRXNPFEDSA-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