General Information of the Compound
| Compound ID |
CP0556410
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| Compound Name |
US9180192, 26
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| Structure |
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| Formula |
C17H16N4O3S
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| Molecular Weight |
356.407
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| Canonical SMILES |
CCc1ccc(cc1)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
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| InChI |
InChI=1S/C17H16N4O3S/c1-2-13-6-8-15(9-7-13)25(23,24)21-12-14(11-19-21)20-17(22)16-5-3-4-10-18-16/h3-12H,2H2,1H3,(H,20,22)
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| InChIKey |
STECEBJXYKEXJS-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