General Information of the Compound
| Compound ID |
CP0499587
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(+/-)-trans-(3-(3,5-bis(trifluoromethyl)benzyloxy)-2-phenylcyclopentyl)methanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20F6O2
|
||||||||||||||||||
| Molecular Weight |
418.377
|
||||||||||||||||||
| Canonical SMILES |
OC[C@@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20F6O2/c22-20(23,24)16-8-13(9-17(10-16)21(25,26)27)12-29-18-7-6-15(11-28)19(18)14-4-2-1-3-5-14/h1-5,8-10,15,18-19,28H,6-7,11-12H2/t15-,18-,19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YVFFAQCPRASOKD-SNRMKQJTSA-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