General Information of the Compound
| Compound ID |
CP0422784
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| Compound Name |
2-[(4-chloro-2-fluorophenyl)methyl]-3-(4-chlorophenyl)-7-(trifluoromethyl)-2H-indazole
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| Structure |
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| Formula |
C21H12Cl2F4N2
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| Molecular Weight |
439.239
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| Canonical SMILES |
Fc1cc(Cl)ccc1Cn1nc2c(cccc2c1-c1ccc(Cl)cc1)C(F)(F)F
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| InChI |
InChI=1S/C21H12Cl2F4N2/c22-14-7-4-12(5-8-14)20-16-2-1-3-17(21(25,26)27)19(16)28-29(20)11-13-6-9-15(23)10-18(13)24/h1-10H,11H2
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| InChIKey |
KXXPROPFBQVDKT-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