General Information of the Compound
| Compound ID |
CP0444607
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| Compound Name |
2-[4-(3-Benzodioxyl-sulfamoyl)-phenyl]-2-oxoethyl ethyl trithiocarbonate
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| Structure |
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| Formula |
C18H17NO5S4
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| Molecular Weight |
455.604
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| Canonical SMILES |
CCSC(=S)SCC(=O)c1cccc(c1)S(=O)(=O)Nc1ccc2OCOc2c1
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| InChI |
InChI=1S/C18H17NO5S4/c1-2-26-18(25)27-10-15(20)12-4-3-5-14(8-12)28(21,22)19-13-6-7-16-17(9-13)24-11-23-16/h3-9,19H,2,10-11H2,1H3
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| InChIKey |
WKZSYTYBAIJRJA-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