General Information of the Compound
| Compound ID |
CP0488784
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| Compound Name |
US8987445, 184
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| Structure |
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| Formula |
C28H20F2N2O4S2
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| Molecular Weight |
550.608
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| Canonical SMILES |
OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1cc2c(F)cc(F)cc2s1)c1ncc2ccccc2c1C1CC1
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| InChI |
InChI=1S/C28H20F2N2O4S2/c29-19-11-24(30)23-13-20(37-25(23)12-19)15-32(38(35,36)21-9-7-17(8-10-21)28(33)34)27-26(16-5-6-16)22-4-2-1-3-18(22)14-31-27/h1-4,7-14,16H,5-6,15H2,(H,33,34)
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| InChIKey |
NNGBVZQEXQLSPG-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