General Information of the Compound
| Compound ID |
CP0403835
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[(1S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazin-1-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25F6N3O2
|
||||||||||||||||||
| Molecular Weight |
489.46
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)CN1CCN(CC1)[C@H](COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25F6N3O2/c24-22(25,26)18-10-16(11-19(12-18)23(27,28)29)14-34-15-20(17-4-2-1-3-5-17)32-8-6-31(7-9-32)13-21(30)33/h1-5,10-12,20H,6-9,13-15H2,(H2,30,33)/t20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SQNYJTSIWKBHBD-HXUWFJFHSA-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