General Information of the Compound
| Compound ID |
CP0530444
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| Compound Name |
US9434711, 791
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| Structure |
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| Formula |
C20H17F4NO4S2
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| Molecular Weight |
475.485
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| Canonical SMILES |
COC(=O)CS(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1sc2ccccc2c1C
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| InChI |
InChI=1S/C20H17F4NO4S2/c1-12-14-5-3-4-6-17(14)30-19(12)25(31(27,28)11-18(26)29-2)10-13-7-8-16(21)15(9-13)20(22,23)24/h3-9H,10-11H2,1-2H3
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| InChIKey |
DSHWLRGIXLHZOT-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