General Information of the Compound
| Compound ID |
CP0522283
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| Compound Name |
1-[2-(4-bromophenoxy)-5-nitrophenyl]sulfonyl-3-pentylurea
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| Structure |
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| Formula |
C18H20BrN3O6S
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| Molecular Weight |
486.344
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| Canonical SMILES |
CCCCCNC(=O)NS(=O)(=O)c1cc(ccc1Oc1ccc(Br)cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C18H20BrN3O6S/c1-2-3-4-11-20-18(23)21-29(26,27)17-12-14(22(24)25)7-10-16(17)28-15-8-5-13(19)6-9-15/h5-10,12H,2-4,11H2,1H3,(H2,20,21,23)
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| InChIKey |
CXCPDVXKCNGNCA-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