General Information of the Compound
| Compound ID |
CP0453672
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| Compound Name |
2-benzyl-3-aryl-7-trifluoromethylindazole, 5
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| Synonyms |
2-Benzyl-3-phenyl-7-(trifluoromethyl)-2H-indazole
2-benzyl-3-aryl-7-trifluoromethylindazole, 5
BDBM26064
CHEMBL464189
LGRUCHCYEMOENE-UHFFFAOYSA-N
SCHEMBL1407219
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| Structure |
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| Formula |
C21H15F3N2
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| Molecular Weight |
352.359
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| Canonical SMILES |
FC(F)(F)c1cccc2c(-c3ccccc3)n(Cc3ccccc3)nc12
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| InChI |
InChI=1S/C21H15F3N2/c22-21(23,24)18-13-7-12-17-19(18)25-26(14-15-8-3-1-4-9-15)20(17)16-10-5-2-6-11-16/h1-13H,14H2
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| InChIKey |
LGRUCHCYEMOENE-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
Clinical Information about the Compound