General Information of the Compound
| Compound ID |
CP0411045
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| Compound Name |
4,5,6,7-tetrachloro-2-[2-[(E)-2-(1,3-thiazol-2-yl)ethenyl]phenyl]isoindole-1,3-dione
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| Structure |
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| Formula |
C19H8Cl4N2O2S
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| Molecular Weight |
470.164
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| Canonical SMILES |
Clc1c2C(=O)N(C(=O)c2c(Cl)c(Cl)c1Cl)c1ccccc1\C=C\c1nccs1
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| InChI |
InChI=1S/C19H8Cl4N2O2S/c20-14-12-13(15(21)17(23)16(14)22)19(27)25(18(12)26)10-4-2-1-3-9(10)5-6-11-24-7-8-28-11/h1-8H/b6-5+
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| InChIKey |
PRWXVIIRASLOJH-AATRIKPKSA-N
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| 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
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06394, Oxysterols receptor LXR-beta
Protein ID: PT01887, Oxysterols receptor LXR-beta