General Information of the Compound
| Compound ID |
CP0302748
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4,5,6,7-Tetrachloro-N-{4-[(1E)-2-phenylethenyl]phenyl}phthalimide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H11Cl4NO2
|
||||||||||||||||||
| Molecular Weight |
463.147
|
||||||||||||||||||
| Canonical SMILES |
Clc1c2C(=O)N(C(=O)c2c(Cl)c(Cl)c1Cl)c1ccc(\C=C\c2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H11Cl4NO2/c23-17-15-16(18(24)20(26)19(17)25)22(29)27(21(15)28)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6+
Show/Hide
|
||||||||||||||||||
| InChIKey |
ACXQAYBUGCBSSN-VOTSOKGWSA-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