General Information of the Compound
| Compound ID |
CP0539064
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| Compound Name |
US9000044, 11
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| Structure |
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| Formula |
C25H17F3O4S
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| Molecular Weight |
470.468
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| Canonical SMILES |
Cc1c(CC(O)=O)cc2ccc(F)cc2c1-c1ccc(cc1)S(=O)(=O)c1c(F)cccc1F
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| InChI |
InChI=1S/C25H17F3O4S/c1-14-17(12-23(29)30)11-16-5-8-18(26)13-20(16)24(14)15-6-9-19(10-7-15)33(31,32)25-21(27)3-2-4-22(25)28/h2-11,13H,12H2,1H3,(H,29,30)
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| InChIKey |
UVUVZOZYRRYZCG-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