General Information of the Compound
| Compound ID |
CP0107209
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| Compound Name |
4-(4'-fluoro-3'-(methylsulfonyl)biphenyl-3-yl)-3-methyl-8-(trifluoromethyl)quinoline
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| Structure |
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| Formula |
C24H17F4NO2S
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| Molecular Weight |
459.464
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| Canonical SMILES |
Cc1cnc2c(cccc2c1-c1cccc(c1)-c1ccc(F)c(c1)S(C)(=O)=O)C(F)(F)F
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| InChI |
InChI=1S/C24H17F4NO2S/c1-14-13-29-23-18(7-4-8-19(23)24(26,27)28)22(14)17-6-3-5-15(11-17)16-9-10-20(25)21(12-16)32(2,30)31/h3-13H,1-2H3
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| InChIKey |
BKINFWHEJAZZTL-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