General Information of the Compound
| Compound ID |
CP0511989
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1,1,1,3,3,3-hexafluoro-2-[4-[(3S,4S)-4-methyl-4-phenylpyrrolidin-3-yl]phenyl]propan-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19F6NO
|
||||||||||||||||||
| Molecular Weight |
403.366
|
||||||||||||||||||
| Canonical SMILES |
C[C@@]1(CNC[C@H]1c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19F6NO/c1-17(14-5-3-2-4-6-14)12-27-11-16(17)13-7-9-15(10-8-13)18(28,19(21,22)23)20(24,25)26/h2-10,16,27-28H,11-12H2,1H3/t16-,17+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VNOGAVMRKFTOCP-DLBZAZTESA-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