General Information of the Compound
| Compound ID |
CP0511966
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| Compound Name |
US9422235, 47
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| Structure |
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| Formula |
C19H19F3N2O4S
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| Molecular Weight |
428.432
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| Canonical SMILES |
FC(F)(F)c1cc(Nc2ccc3OCCOc3c2)ccc1S(=O)(=O)NCC1CC1
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| InChI |
InChI=1S/C19H19F3N2O4S/c20-19(21,22)15-9-13(4-6-18(15)29(25,26)23-11-12-1-2-12)24-14-3-5-16-17(10-14)28-8-7-27-16/h3-6,9-10,12,23-24H,1-2,7-8,11H2
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| InChIKey |
LBPDHYFBYQARGS-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