General Information of the Compound
| Compound ID |
CP0415202
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| Compound Name |
2-benzyl-3-aryl-7-trifluoromethylindazole, 21
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| Structure |
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| Formula |
C22H13ClF6N2
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| Molecular Weight |
454.801
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| Canonical SMILES |
FC(F)(F)c1ccccc1Cn1nc2c(cccc2c1-c1ccc(Cl)cc1)C(F)(F)F
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| InChI |
InChI=1S/C22H13ClF6N2/c23-15-10-8-13(9-11-15)20-16-5-3-7-18(22(27,28)29)19(16)30-31(20)12-14-4-1-2-6-17(14)21(24,25)26/h1-11H,12H2
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| InChIKey |
CDLBQZJYZMCUBN-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