General Information of the Compound
| Compound ID |
CP0515145
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| Compound Name |
US9320734, 444
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| Structure |
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| Formula |
C16H16N4O5S
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| Molecular Weight |
376.394
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| Canonical SMILES |
COc1cc(NS(=O)(=O)c2ccc(Nc3ccco3)cc2)nc(OC)n1
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| InChI |
InChI=1S/C16H16N4O5S/c1-23-15-10-13(18-16(19-15)24-2)20-26(21,22)12-7-5-11(6-8-12)17-14-4-3-9-25-14/h3-10,17H,1-2H3,(H,18,19,20)
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| InChIKey |
KEQFNFKDSQUPFY-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