General Information of the Compound
| Compound ID |
CP0083396
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| Compound Name |
1-Butyl-3-(1,1-dioxo-1,4-dihydro-1lambda*6*-benzo[1,2,4]thiadiazin-3-yl)-4-hydroxy-1H-quinolin-2-one
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| Structure |
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| Formula |
C20H19N3O4S
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| Molecular Weight |
397.456
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| Canonical SMILES |
CCCCn1c2ccccc2c(O)c(C2=NS(=O)(=O)c3ccccc3N2)c1=O
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| InChI |
InChI=1S/C20H19N3O4S/c1-2-3-12-23-15-10-6-4-8-13(15)18(24)17(20(23)25)19-21-14-9-5-7-11-16(14)28(26,27)22-19/h4-11,24H,2-3,12H2,1H3,(H,21,22)
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| InChIKey |
NQKPXUGRVIESOZ-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