General Information of the Compound
| Compound ID |
CP0527284
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| Compound Name |
US9012443, 10
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| Structure |
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| Formula |
C21H16F3N3O3S2
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| Molecular Weight |
479.505
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| Canonical SMILES |
CCOc1cc(ccc1-c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1)C(F)(F)F
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| InChI |
InChI=1S/C21H16F3N3O3S2/c1-2-30-19-11-14(21(22,23)24)6-8-18(19)17-5-3-4-13-10-15(7-9-16(13)17)32(28,29)27-20-25-12-26-31-20/h3-12H,2H2,1H3,(H,25,26,27)
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| InChIKey |
CBTDKGZSTNRDNG-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