General Information of the Compound
| Compound ID |
CP0038018
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| Compound Name |
4,5,6,7-Tetrachloro-N-{2-[2-(3,4-dihydroxyphenyl)ethyl]phenyl}phthalimide
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| Structure |
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| Formula |
C22H13Cl4NO4
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| Molecular Weight |
497.161
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| Canonical SMILES |
Oc1ccc(CCc2ccccc2N2C(=O)c3c(C2=O)c(Cl)c(Cl)c(Cl)c3Cl)cc1O
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| InChI |
InChI=1S/C22H13Cl4NO4/c23-17-15-16(18(24)20(26)19(17)25)22(31)27(21(15)30)12-4-2-1-3-11(12)7-5-10-6-8-13(28)14(29)9-10/h1-4,6,8-9,28-29H,5,7H2
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| InChIKey |
NUIRGDYSUOJTOH-UHFFFAOYSA-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: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT01887, Oxysterols receptor LXR-beta