General Information of the Compound
| Compound ID |
CP0427245
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| Compound Name |
3-Benzyl-4-(3-{[2-chloro-3-(trifluoromethyl)benzyl]oxy}-phenyl)-8-(trifluoromethyl)cinnoline
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| Structure |
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| Formula |
C30H19ClF6N2O
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| Molecular Weight |
572.936
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| Canonical SMILES |
FC(F)(F)c1cccc(COc2cccc(c2)-c2c(Cc3ccccc3)nnc3c(cccc23)C(F)(F)F)c1Cl
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| InChI |
InChI=1S/C30H19ClF6N2O/c31-27-20(10-5-13-23(27)29(32,33)34)17-40-21-11-4-9-19(16-21)26-22-12-6-14-24(30(35,36)37)28(22)39-38-25(26)15-18-7-2-1-3-8-18/h1-14,16H,15,17H2
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| InChIKey |
ORZUZXZETYSZTE-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