General Information of the Compound
| Compound ID |
CP0257597
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| Compound Name |
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]-1,1-diketo-1,2-benzothiazol-3-one
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| Structure |
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| Formula |
C17H13NO6S
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| Molecular Weight |
359.359
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| Canonical SMILES |
O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc2OCCOc2c1
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| InChI |
InChI=1S/C17H13NO6S/c19-13(11-5-6-14-15(9-11)24-8-7-23-14)10-18-17(20)12-3-1-2-4-16(12)25(18,21)22/h1-6,9H,7-8,10H2
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| InChIKey |
RLZFUGVEEJGLAF-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