General Information of the Compound
Compound ID |
CP0289292
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
3-chloro-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylbenzonitrile
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C16H11ClF3NO3S
|
||||||||||||||||||
Molecular Weight |
389.782
|
||||||||||||||||||
Canonical SMILES |
CC(O)(c1ccc(cc1)S(=O)(=O)c1ccc(cc1Cl)C#N)C(F)(F)F
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C16H11ClF3NO3S/c1-15(22,16(18,19)20)11-3-5-12(6-4-11)25(23,24)14-7-2-10(9-21)8-13(14)17/h2-8,22H,1H3
Show/Hide
|
||||||||||||||||||
InChIKey |
UMQOWWADXICFNS-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