General Information of the Compound
| Compound ID |
CP0412125
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| Compound Name |
US9012443, 51
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| Structure |
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| Formula |
C19H11ClF3N3O2S2
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| Molecular Weight |
469.897
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| Canonical SMILES |
FC(F)(F)c1ccc(c(Cl)c1)-c1nccc2cc(ccc12)S(=O)(=O)Nc1nccs1
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| InChI |
InChI=1S/C19H11ClF3N3O2S2/c20-16-10-12(19(21,22)23)1-3-15(16)17-14-4-2-13(9-11(14)5-6-24-17)30(27,28)26-18-25-7-8-29-18/h1-10H,(H,25,26)
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| InChIKey |
LQLSAATTXQTGOX-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