General Information of the Compound
| Compound ID |
CP0571779
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-2-(4-nitrophenyl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H15F7N2O4
|
||||||||||||||||||
| Molecular Weight |
516.369
|
||||||||||||||||||
| Canonical SMILES |
OC(c1ccc(c(F)c1)-c1ccc(NC(=O)Cc2ccc(cc2)[N+]([O-])=O)cc1)(C(F)(F)F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H15F7N2O4/c24-19-12-15(21(34,22(25,26)27)23(28,29)30)5-10-18(19)14-3-6-16(7-4-14)31-20(33)11-13-1-8-17(9-2-13)32(35)36/h1-10,12,34H,11H2,(H,31,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UMANBUHWIZGPIR-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