General Information of the Compound
| Compound ID |
CP0372461
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| Compound Name |
biarylether amide quinoline, 4f
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| Structure |
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| Formula |
C35H29F3N2O2
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| Molecular Weight |
566.623
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| Canonical SMILES |
FC(F)(F)c1cccc2c(c(Cc3ccccc3)cnc12)-c1cccc(Oc2cccc(c2)C(=O)N2CCCCC2)c1
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| InChI |
InChI=1S/C35H29F3N2O2/c36-35(37,38)31-17-9-16-30-32(27(23-39-33(30)31)20-24-10-3-1-4-11-24)25-12-7-14-28(21-25)42-29-15-8-13-26(22-29)34(41)40-18-5-2-6-19-40/h1,3-4,7-17,21-23H,2,5-6,18-20H2
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| InChIKey |
DDVQRICMCZPTNJ-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