General Information of the Compound
| Compound ID |
CP0405189
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9,9,9-trifluoro-8-oxo-N-(3-phenylphenyl)nonanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22F3NO2
|
||||||||||||||||||
| Molecular Weight |
377.406
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)C(=O)CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22F3NO2/c22-21(23,24)19(26)13-6-1-2-7-14-20(27)25-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15H,1-2,6-7,13-14H2,(H,25,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MURSHQSEWWUKLX-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
Protein ID: PT00991, Histone deacetylase 1
Protein ID: PT00995, Histone deacetylase 3
Protein ID: PT01213, Histone deacetylase 6