General Information of the Compound
| Compound ID |
CP0536710
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-{2-(3,4-Bis-difluoromethoxy-phenyl)-2-[4-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-phenyl]-ethyl}-1-oxy-pyridin-3-yl)-ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H19F10NO5
|
||||||||||||||||||
| Molecular Weight |
615.42
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)c1c[n+]([O-])ccc1CC(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)c1ccc(OC(F)F)c(OC(F)F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H19F10NO5/c1-13(38)19-12-37(40)9-8-16(19)10-18(15-4-7-20(41-22(27)28)21(11-15)42-23(29)30)14-2-5-17(6-3-14)24(39,25(31,32)33)26(34,35)36/h2-9,11-12,18,22-23,39H,10H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MRMYLNGCVNQSLI-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