General Information of the Compound
| Compound ID |
CP0372436
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| Compound Name |
biarylether amide quinoline, 4e
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| Structure |
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| Formula |
C34H27F3N2O2
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| Molecular Weight |
552.596
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| Canonical SMILES |
FC(F)(F)c1cccc2c(c(Cc3ccccc3)cnc12)-c1cccc(Oc2cccc(c2)C(=O)N2CCCC2)c1
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| InChI |
InChI=1S/C34H27F3N2O2/c35-34(36,37)30-16-8-15-29-31(26(22-38-32(29)30)19-23-9-2-1-3-10-23)24-11-6-13-27(20-24)41-28-14-7-12-25(21-28)33(40)39-17-4-5-18-39/h1-3,6-16,20-22H,4-5,17-19H2
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| InChIKey |
QQNXCYFWSCPJOI-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