General Information of the Compound
Compound ID
CP0191256
Compound Name
4,5,6,7-Tetrachloro-N-{3-[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl}phthalimide
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Structure
Formula
C24H15Cl4NO4
Molecular Weight
523.199
Canonical SMILES
COc1ccc(\C=C\c2cccc(c2)N2C(=O)c3c(C2=O)c(Cl)c(Cl)c(Cl)c3Cl)cc1OC
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InChI
InChI=1S/C24H15Cl4NO4/c1-32-15-9-8-13(11-16(15)33-2)7-6-12-4-3-5-14(10-12)29-23(30)17-18(24(29)31)20(26)22(28)21(27)19(17)25/h3-11H,1-2H3/b7-6+
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InChIKey
ACLOSINMMSLCHB-VOTSOKGWSA-N
Physicochemical Property
logP
7.2884
Rotatable Bonds
5
Heavy Atom Count
33
Polar Areas
55.84
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
33

"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).

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PubChem ID
CID: 45481826
ChEMBL ID
CHEMBL574311
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01887, Oxysterols receptor LXR-beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS