General Information of the Compound
| Compound ID |
CP0555935
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| Compound Name |
US9434711, 392
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| Structure |
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| Formula |
C20H20BrNO4S2
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| Molecular Weight |
482.421
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| Canonical SMILES |
CCCCCN(c1sc2ccccc2c1Br)S(=O)(=O)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C20H20BrNO4S2/c1-2-3-6-13-22(19-18(21)16-7-4-5-8-17(16)27-19)28(25,26)15-11-9-14(10-12-15)20(23)24/h4-5,7-12H,2-3,6,13H2,1H3,(H,23,24)
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| InChIKey |
MOKNJDUYUHSCBH-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