General Information of the Compound
| Compound ID |
CP0491797
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| Compound Name |
biarylether amide quinoline, 4j
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| Structure |
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| Formula |
C25H21ClN2O2
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| Molecular Weight |
416.908
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| Canonical SMILES |
CCNC(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(Cl)cccc23)c1
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| InChI |
InChI=1S/C25H21ClN2O2/c1-3-27-25(29)18-8-5-10-20(14-18)30-19-9-4-7-17(13-19)23-16(2)15-28-24-21(23)11-6-12-22(24)26/h4-15H,3H2,1-2H3,(H,27,29)
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| InChIKey |
DFAPREYFHSKSRA-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