General Information of the Compound
| Compound ID |
CP0442919
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[((2S,3S)-2-Phenyl-piperidin-3-ylamino)-methyl]-4-trifluoromethoxy-phenol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H21F3N2O2
|
||||||||||||||||||
| Molecular Weight |
366.383
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(OC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H21F3N2O2/c20-19(21,22)26-15-8-9-17(25)14(11-15)12-24-16-7-4-10-23-18(16)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16,18,23-25H,4,7,10,12H2/t16-,18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IZRHKURJIQCXMT-WMZOPIPTSA-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