General Information of the Compound
| Compound ID |
CP0539846
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| Compound Name |
US8796328, 27
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| Structure |
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| Formula |
C20H22F3N3O4S
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| Molecular Weight |
457.474
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| Canonical SMILES |
CS(=O)(=O)Nc1ccc(CNC(=O)N[C@@H]2CC(CF)(CF)Oc3ccccc23)cc1F
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| InChI |
InChI=1S/C20H22F3N3O4S/c1-31(28,29)26-16-7-6-13(8-15(16)23)10-24-19(27)25-17-9-20(11-21,12-22)30-18-5-3-2-4-14(17)18/h2-8,17,26H,9-12H2,1H3,(H2,24,25,27)/t17-/m1/s1
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| InChIKey |
LGDKZRMETPBUEO-QGZVFWFLSA-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