General Information of the Compound
| Compound ID |
CP0510613
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-methyl-4-[2,2,2-trifluoro-1-(furan-2-yl)-1-hydroxyethyl]-2-(trifluoromethyl)benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H9F6NO2
|
||||||||||||||||||
| Molecular Weight |
349.23
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(ccc(C#N)c1C(F)(F)F)C(O)(c1ccco1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H9F6NO2/c1-8-10(5-4-9(7-22)12(8)14(16,17)18)13(23,15(19,20)21)11-3-2-6-24-11/h2-6,23H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BBMHFIQLGKNLOC-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