General Information of the Compound
| Compound ID |
CP0489585
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| Compound Name |
US9422235, 109
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| Structure |
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| Formula |
C19H15F6N3O2S
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| Molecular Weight |
463.403
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| Canonical SMILES |
FC(F)(F)c1cc(Nc2ccc(c(c2)C(F)(F)F)S(=O)(=O)NCC2CC2)ccc1C#N
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| InChI |
InChI=1S/C19H15F6N3O2S/c20-18(21,22)15-7-13(4-3-12(15)9-26)28-14-5-6-17(16(8-14)19(23,24)25)31(29,30)27-10-11-1-2-11/h3-8,11,27-28H,1-2,10H2
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| InChIKey |
WJQJRYXEVBNGQL-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