General Information of the Compound
| Compound ID |
CP0000235
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-[2-(2-chlorophenyl)propan-2-yl]-1-[4-[4-(1-hydroxyethyl)-3-methylsulfonylphenyl]phenyl]imidazol-4-yl]propan-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H33ClN2O4S
|
||||||||||||||||||
| Molecular Weight |
553.124
|
||||||||||||||||||
| Canonical SMILES |
CC(O)c1ccc(cc1S(C)(=O)=O)-c1ccc(cc1)-n1cc(nc1C(C)(C)c1ccccc1Cl)C(C)(C)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H33ClN2O4S/c1-19(34)23-16-13-21(17-26(23)38(6,36)37)20-11-14-22(15-12-20)33-18-27(30(4,5)35)32-28(33)29(2,3)24-9-7-8-10-25(24)31/h7-19,34-35H,1-6H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KDKLTCKHENMCSN-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