General Information of the Compound
| Compound ID |
CP0560751
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| Compound Name |
US9012443, 55
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| Structure |
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| Formula |
C21H13F3N6O2S2
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| Molecular Weight |
502.503
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| Canonical SMILES |
FC(F)(F)c1ccc(c(c1)-c1cn[nH]c1)-c1nccc2cc(ccc12)S(=O)(=O)Nc1ncns1
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| InChI |
InChI=1S/C21H13F3N6O2S2/c22-21(23,24)14-1-3-17(18(8-14)13-9-27-28-10-13)19-16-4-2-15(7-12(16)5-6-25-19)34(31,32)30-20-26-11-29-33-20/h1-11H,(H,27,28)(H,26,29,30)
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| InChIKey |
BVGUTXSMXUQKHD-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