General Information of the Compound
Compound ID |
CP0489029
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
4-(1-cyclopropyl-2,2,2-trifluoro-1-hydroxyethyl)-3-methyl-2-(trifluoromethyl)benzonitrile
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C14H11F6NO
|
||||||||||||||||||
Molecular Weight |
323.236
|
||||||||||||||||||
Canonical SMILES |
Cc1c(ccc(C#N)c1C(F)(F)F)C(O)(C1CC1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C14H11F6NO/c1-7-10(12(22,9-3-4-9)14(18,19)20)5-2-8(6-21)11(7)13(15,16)17/h2,5,9,22H,3-4H2,1H3
Show/Hide
|
||||||||||||||||||
InChIKey |
CYBHECFCNVAAOA-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