General Information of the Compound
| Compound ID |
CP0507712
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| Compound Name |
US9422235, 61
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| Structure |
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| Formula |
C14H17F3N2O2S
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| Molecular Weight |
334.363
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| Canonical SMILES |
NS(=O)(=O)c1ccc(NC2CC3CCC2C3)cc1C(F)(F)F
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| InChI |
InChI=1S/C14H17F3N2O2S/c15-14(16,17)11-7-10(3-4-13(11)22(18,20)21)19-12-6-8-1-2-9(12)5-8/h3-4,7-9,12,19H,1-2,5-6H2,(H2,18,20,21)
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| InChIKey |
XVAQILMJUQWQSE-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