General Information of the Compound
| Compound ID |
CP0560752
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| Compound Name |
US9012443, 22
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| Structure |
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| Formula |
C20H11F3N4O2S2
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| Molecular Weight |
460.462
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| Canonical SMILES |
FC(F)(F)c1ccc(c(c1)[N+]#[C-])-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1
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| InChI |
InChI=1S/C20H11F3N4O2S2/c1-24-18-10-13(20(21,22)23)5-7-17(18)16-4-2-3-12-9-14(6-8-15(12)16)31(28,29)27-19-25-11-26-30-19/h2-11H,(H,25,26,27)
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| InChIKey |
DLDIQVPOESVMAI-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