General Information of the Compound
| Compound ID |
CP0431542
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| Compound Name |
Benzyl 1-(4-Cyano-2,3,5,6-tetrafluorophenyl)-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
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| Structure |
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| Formula |
C24H9F7N2O3
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| Molecular Weight |
506.333
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| Canonical SMILES |
Fc1cc2c(c(F)c1F)n(cc(C(=O)OCc1ccccc1)c2=O)-c1c(F)c(F)c(C#N)c(F)c1F
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| InChI |
InChI=1S/C24H9F7N2O3/c25-14-6-11-21(20(31)17(14)28)33(22-18(29)15(26)12(7-32)16(27)19(22)30)8-13(23(11)34)24(35)36-9-10-4-2-1-3-5-10/h1-6,8H,9H2
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| InChIKey |
RHAHUACACWLHCL-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