General Information of the Compound
| Compound ID |
CP0563138
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| Compound Name |
US9434711, 121
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| Structure |
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| Formula |
C16H21NO3S2
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| Molecular Weight |
339.482
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| Canonical SMILES |
CCCCN(c1sc2ccccc2c1C(C)=O)S(=O)(=O)CC
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| InChI |
InChI=1S/C16H21NO3S2/c1-4-6-11-17(22(19,20)5-2)16-15(12(3)18)13-9-7-8-10-14(13)21-16/h7-10H,4-6,11H2,1-3H3
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| InChIKey |
LGESYQJYNFTULJ-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