General Information of the Compound
| Compound ID |
CP0325737
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| Compound Name |
US8614253, 36-10
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| Structure |
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| Formula |
C12H13Br2NO4S
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| Molecular Weight |
427.114
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| Canonical SMILES |
CCOc1cc(Br)c(Br)c(C2NC(CS2)C(O)=O)c1O
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| InChI |
InChI=1S/C12H13Br2NO4S/c1-2-19-7-3-5(13)9(14)8(10(7)16)11-15-6(4-20-11)12(17)18/h3,6,11,15-16H,2,4H2,1H3,(H,17,18)
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| InChIKey |
DHIWIOZWSSQJPE-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