General Information of the Compound
| Compound ID |
CP0564266
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3,5-bis(trifluoromethyl)anilino]-1-(5-chloro-2-hydroxyphenyl)ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H10ClF6NO2
|
||||||||||||||||||
| Molecular Weight |
397.702
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(Cl)cc1C(=O)CNc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H10ClF6NO2/c17-10-1-2-13(25)12(6-10)14(26)7-24-11-4-8(15(18,19)20)3-9(5-11)16(21,22)23/h1-6,24-25H,7H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
RAVNGAPBYNCBLO-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