General Information of the Compound
| Compound ID |
CP0563663
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| Compound Name |
US9180192, 2
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| Structure |
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| Formula |
C16H14N4O3S
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| Molecular Weight |
342.38
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| Canonical SMILES |
Cc1cccc(c1)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
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| InChI |
InChI=1S/C16H14N4O3S/c1-12-5-4-6-14(9-12)24(22,23)20-11-13(10-18-20)19-16(21)15-7-2-3-8-17-15/h2-11H,1H3,(H,19,21)
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| InChIKey |
AWEXOUBZDKRZHQ-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