General Information of the Compound
| Compound ID |
CP0434980
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| Compound Name |
2-[(4-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(Cc2ccc(Cl)cc2)nc2c(cccc12)C(F)(F)F
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| InChI |
InChI=1S/C21H13ClF4N2/c22-15-8-4-13(5-9-15)12-28-20(14-6-10-16(23)11-7-14)17-2-1-3-18(19(17)27-28)21(24,25)26/h1-11H,12H2
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| InChIKey |
IOUQCKSTQUVCIP-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