General Information of the Compound
| Compound ID |
CP0380545
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(1,3-benzodioxol-5-yl)-3-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-propylphenoxy]butyl]-5-methylimidazolidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H28F6N2O6
|
||||||||||||||||||
| Molecular Weight |
590.517
|
||||||||||||||||||
| Canonical SMILES |
CCCc1cc(ccc1OCCCCN1C(=O)NC(C)(C1=O)c1ccc2OCOc2c1)C(O)(C(F)(F)F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H28F6N2O6/c1-3-6-16-13-18(25(38,26(28,29)30)27(31,32)33)8-9-19(16)39-12-5-4-11-35-22(36)24(2,34-23(35)37)17-7-10-20-21(14-17)41-15-40-20/h7-10,13-14,38H,3-6,11-12,15H2,1-2H3,(H,34,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RKVUYLWNCWZIKP-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: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT01887, Oxysterols receptor LXR-beta