General Information of the Compound
| Compound ID |
CP0866861
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-2-n-propylphenoxy)butyl)-5-methyl-5-(p-tolyl)imidazolidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H30F6N2O4
|
||||||||||||||||||
| Molecular Weight |
560.535
|
||||||||||||||||||
| Canonical SMILES |
CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCCCCN1C(=O)NC(C)(c2ccc(C)cc2)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30F6N2O4/c1-4-7-18-16-20(25(38,26(28,29)30)27(31,32)33)12-13-21(18)39-15-6-5-14-35-22(36)24(3,34-23(35)37)19-10-8-17(2)9-11-19/h8-13,16,38H,4-7,14-15H2,1-3H3,(H,34,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NYDAVMSZHKTMQJ-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