General Information of the Compound
| Compound ID |
CP0555984
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| Compound Name |
US9320734, 445
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| Structure |
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| Formula |
C17H16N4O6S
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| Molecular Weight |
404.404
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| Canonical SMILES |
COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)nc(OC)n1
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| InChI |
InChI=1S/C17H16N4O6S/c1-25-15-10-14(19-17(20-15)26-2)21-28(23,24)12-7-5-11(6-8-12)18-16(22)13-4-3-9-27-13/h3-10H,1-2H3,(H,18,22)(H,19,20,21)
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| InChIKey |
DQOZFKWKEFZPOO-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