General Information of the Compound
| Compound ID |
CP0334939
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| Compound Name |
3-(1,1-dioxo-1,2-dihydrobenzo[1,2,4]thiadiazin-3-yl)-5-fluoro-4-hydroxy-1-(3-methylbutyl)-1H-quinolin-2-one
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| Structure |
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| Formula |
C21H20FN3O4S
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| Molecular Weight |
429.473
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| Canonical SMILES |
CC(C)CCn1c2cccc(F)c2c(O)c(C2=Nc3ccccc3S(=O)(=O)N2)c1=O
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| InChI |
InChI=1S/C21H20FN3O4S/c1-12(2)10-11-25-15-8-5-6-13(22)17(15)19(26)18(21(25)27)20-23-14-7-3-4-9-16(14)30(28,29)24-20/h3-9,12,26H,10-11H2,1-2H3,(H,23,24)
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| InChIKey |
JJMAXGLXXFRXDZ-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