General Information of the Compound
| Compound ID |
CP0422782
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| Compound Name |
2-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-7-(trifluoromethyl)-2H-indazole
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| Structure |
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| Formula |
C21H13ClF4N2
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| Molecular Weight |
404.794
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| Canonical SMILES |
Fc1ccc(cc1)-c1n(Cc2ccccc2Cl)nc2c(cccc12)C(F)(F)F
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| InChI |
InChI=1S/C21H13ClF4N2/c22-18-7-2-1-4-14(18)12-28-20(13-8-10-15(23)11-9-13)16-5-3-6-17(19(16)27-28)21(24,25)26/h1-11H,12H2
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| InChIKey |
RGQJDOMXMZANLJ-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