General Information of the Compound
| Compound ID |
CP0069743
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| Compound Name |
biarylether alcohol quinoline, 5a
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| Structure |
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| Formula |
C30H22F3NO2
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| Molecular Weight |
485.505
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| Canonical SMILES |
OCc1cccc(Oc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)c1
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| InChI |
InChI=1S/C30H22F3NO2/c31-30(32,33)27-14-6-13-26-28(23(18-34-29(26)27)15-20-7-2-1-3-8-20)22-10-5-12-25(17-22)36-24-11-4-9-21(16-24)19-35/h1-14,16-18,35H,15,19H2
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| InChIKey |
JZHGBILVGRSOHN-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: PT06394, Oxysterols receptor LXR-beta
Protein ID: PT01887, Oxysterols receptor LXR-beta