General Information of the Compound
| Compound ID |
CP0561972
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| Compound Name |
US9434711, 630
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| Structure |
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| Formula |
C21H20F3NO4S2
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| Molecular Weight |
471.522
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| Canonical SMILES |
COC(=O)c1ccc(cc1)S(=O)(=O)N(CCCC(F)(F)F)c1sc2ccccc2c1C
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| InChI |
InChI=1S/C21H20F3NO4S2/c1-14-17-6-3-4-7-18(17)30-19(14)25(13-5-12-21(22,23)24)31(27,28)16-10-8-15(9-11-16)20(26)29-2/h3-4,6-11H,5,12-13H2,1-2H3
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| InChIKey |
XYLIMBSVDFDZEB-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