General Information of the Compound
| Compound ID |
CP0415952
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| Compound Name |
4,5,6,7-tetrachloro-2-[2-[(E)-2-thiophen-3-ylethenyl]phenyl]isoindole-1,3-dione
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| Structure |
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| Formula |
C20H9Cl4NO2S
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| Molecular Weight |
469.176
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| Canonical SMILES |
Clc1c2C(=O)N(C(=O)c2c(Cl)c(Cl)c1Cl)c1ccccc1\C=C\c1ccsc1
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| InChI |
InChI=1S/C20H9Cl4NO2S/c21-15-13-14(16(22)18(24)17(15)23)20(27)25(19(13)26)12-4-2-1-3-11(12)6-5-10-7-8-28-9-10/h1-9H/b6-5+
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| InChIKey |
KCFGMUPMJUNNCN-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