General Information of the Compound
| Compound ID |
CP0518990
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| Compound Name |
US8614253, 36-7
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| Structure |
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| Formula |
C14H17Br2NO4S
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| Molecular Weight |
455.168
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| Canonical SMILES |
CCOC(=O)C1CSC(N1)c1c(O)c(OCC)cc(Br)c1Br
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| InChI |
InChI=1S/C14H17Br2NO4S/c1-3-20-9-5-7(15)11(16)10(12(9)18)13-17-8(6-22-13)14(19)21-4-2/h5,8,13,17-18H,3-4,6H2,1-2H3
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| InChIKey |
MCDVEBMIILVHIK-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