General Information of the Compound
| Compound ID |
CP0422781
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| Compound Name |
2-[(2,4-dimethylphenyl)methyl]-3-(4-fluorophenyl)-7-(trifluoromethyl)-2H-indazole
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| Structure |
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| Formula |
C23H18F4N2
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| Molecular Weight |
398.403
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| Canonical SMILES |
Cc1ccc(Cn2nc3c(cccc3c2-c2ccc(F)cc2)C(F)(F)F)c(C)c1
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| InChI |
InChI=1S/C23H18F4N2/c1-14-6-7-17(15(2)12-14)13-29-22(16-8-10-18(24)11-9-16)19-4-3-5-20(21(19)28-29)23(25,26)27/h3-12H,13H2,1-2H3
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| InChIKey |
XSNDTQOGMFODQY-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