General Information of the Compound
| Compound ID |
CP0496790
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| Compound Name |
1-[2-(2-bromophenoxy)-5-nitrophenyl]sulfonyl-3-tert-butylurea
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| Structure |
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| Formula |
C17H18BrN3O6S
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| Molecular Weight |
472.317
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| Canonical SMILES |
CC(C)(C)NC(=O)NS(=O)(=O)c1cc(ccc1Oc1ccccc1Br)[N+]([O-])=O
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| InChI |
InChI=1S/C17H18BrN3O6S/c1-17(2,3)19-16(22)20-28(25,26)15-10-11(21(23)24)8-9-14(15)27-13-7-5-4-6-12(13)18/h4-10H,1-3H3,(H2,19,20,22)
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| InChIKey |
NWHNWVGKAVYTJD-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