General Information of the Compound
| Compound ID |
CP0244920
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| Compound Name |
biarylether alcohol quinoline, 5b
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| Structure |
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| Formula |
C32H26F3NO2
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| Molecular Weight |
513.559
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| Canonical SMILES |
CC(C)(O)c1cccc(Oc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)c1
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| InChI |
InChI=1S/C32H26F3NO2/c1-31(2,37)24-12-7-14-26(19-24)38-25-13-6-11-22(18-25)29-23(17-21-9-4-3-5-10-21)20-36-30-27(29)15-8-16-28(30)32(33,34)35/h3-16,18-20,37H,17H2,1-2H3
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| InChIKey |
AIZFRFCHCJRXFS-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