General Information of the Compound
| Compound ID |
CP0176769
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| Compound Name |
MLS001116215
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| Structure |
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| Formula |
C20H17ClN4O4S
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| Molecular Weight |
444.9
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| Canonical SMILES |
CC(=O)Nc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
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| InChI |
InChI=1S/C20H17ClN4O4S/c1-13(26)23-15-7-9-16(10-8-15)24-19(27)18-17(21)11-22-20(25-18)30(28,29)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,23,26)(H,24,27)
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| InChIKey |
NVBYJSDGCXDSDE-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