General Information of the Compound
| Compound ID |
CP0443068
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| Compound Name |
US9180192, 21
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| Structure |
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| Formula |
C16H13ClN4O4S
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| Molecular Weight |
392.824
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| Canonical SMILES |
COc1ccc(cc1Cl)S(=O)(=O)n1cc(NC(=O)c2ccccn2)cn1
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| InChI |
InChI=1S/C16H13ClN4O4S/c1-25-15-6-5-12(8-13(15)17)26(23,24)21-10-11(9-19-21)20-16(22)14-4-2-3-7-18-14/h2-10H,1H3,(H,20,22)
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| InChIKey |
UNYGEWZQPSIPIP-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