General Information of the Compound
| Compound ID |
CP0180321
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| Compound Name |
biarylether alcohol quinoline, 5i
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| Structure |
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| Formula |
C25H22ClNO2
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| Molecular Weight |
403.909
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| Canonical SMILES |
Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(c2)C(C)(C)O)c1
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| InChI |
InChI=1S/C25H22ClNO2/c1-16-15-27-24-21(11-6-12-22(24)26)23(16)17-7-4-9-19(13-17)29-20-10-5-8-18(14-20)25(2,3)28/h4-15,28H,1-3H3
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| InChIKey |
MMQLCGFOEBSWCN-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