General Information of the Compound
| Compound ID |
CP0497473
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3,5-bis-trifluoromethyl-benzyloxymethyl)-biphenyl
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H16F6O
|
||||||||||||||||||
| Molecular Weight |
410.357
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cc(COCc2ccccc2-c2ccccc2)cc(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H16F6O/c23-21(24,25)18-10-15(11-19(12-18)22(26,27)28)13-29-14-17-8-4-5-9-20(17)16-6-2-1-3-7-16/h1-12H,13-14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
PURLCZJVZYRQTQ-UHFFFAOYSA-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