General Information of the Compound
| Compound ID |
CP0546271
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| Compound Name |
3-(3,5-difluorophenyl)sulfonyl-8-fluoro-4-(4-fluorophenyl)quinoline
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| Structure |
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| Formula |
C21H11F4NO2S
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| Molecular Weight |
417.383
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| Canonical SMILES |
Fc1ccc(cc1)-c1c(cnc2c(F)cccc12)S(=O)(=O)c1cc(F)cc(F)c1
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| InChI |
InChI=1S/C21H11F4NO2S/c22-13-6-4-12(5-7-13)20-17-2-1-3-18(25)21(17)26-11-19(20)29(27,28)16-9-14(23)8-15(24)10-16/h1-11H
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| InChIKey |
TUYNCXNLDTZQCP-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