General Information of the Compound
| Compound ID |
CP0085957
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| Compound Name |
3-(1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazin-3-yl)-6-fluorochromen-4-one
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| Structure |
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| Formula |
C16H11FN2O4S
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| Molecular Weight |
346.339
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| Canonical SMILES |
Fc1ccc2occ(C3Nc4ccccc4S(=O)(=O)N3)c(=O)c2c1
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| InChI |
InChI=1S/C16H11FN2O4S/c17-9-5-6-13-10(7-9)15(20)11(8-23-13)16-18-12-3-1-2-4-14(12)24(21,22)19-16/h1-8,16,18-19H
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| InChIKey |
AYKFLTDUIZGVBD-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