General Information of the Compound
| Compound ID |
CP0463027
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| Compound Name |
1-[2-(4-methylphenoxy)-5-nitrophenyl]sulfonyl-3-propylurea
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| Structure |
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| Formula |
C17H19N3O6S
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| Molecular Weight |
393.421
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| Canonical SMILES |
CCCNC(=O)NS(=O)(=O)c1cc(ccc1Oc1ccc(C)cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C17H19N3O6S/c1-3-10-18-17(21)19-27(24,25)16-11-13(20(22)23)6-9-15(16)26-14-7-4-12(2)5-8-14/h4-9,11H,3,10H2,1-2H3,(H2,18,19,21)
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| InChIKey |
KGKXIEIPVOCZPO-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