General Information of the Compound
| Compound ID |
CP0402007
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| Compound Name |
biarylether amide quinoline, 4g
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| Structure |
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| Formula |
C34H27F3N2O3
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| Molecular Weight |
568.595
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| Canonical SMILES |
FC(F)(F)c1cccc2c(c(Cc3ccccc3)cnc12)-c1cccc(Oc2cccc(c2)C(=O)N2CCOCC2)c1
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| InChI |
InChI=1S/C34H27F3N2O3/c35-34(36,37)30-14-6-13-29-31(26(22-38-32(29)30)19-23-7-2-1-3-8-23)24-9-4-11-27(20-24)42-28-12-5-10-25(21-28)33(40)39-15-17-41-18-16-39/h1-14,20-22H,15-19H2
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| InChIKey |
USWOEXHVBVCJOR-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