General Information of the Compound
| Compound ID |
CP0561218
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| Compound Name |
US9434711, 351
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| Structure |
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| Formula |
C21H20F3NO3S2
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| Molecular Weight |
455.523
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| Canonical SMILES |
CC(=O)c1ccc(cc1)S(=O)(=O)N(CCCC(F)(F)F)c1sc2ccccc2c1C
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| InChI |
InChI=1S/C21H20F3NO3S2/c1-14-18-6-3-4-7-19(18)29-20(14)25(13-5-12-21(22,23)24)30(27,28)17-10-8-16(9-11-17)15(2)26/h3-4,6-11H,5,12-13H2,1-2H3
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| InChIKey |
REHBEPKBQDUJNL-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