General Information of the Compound
| Compound ID |
CP0566472
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| Compound Name |
US8796328, 31
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| Structure |
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| Formula |
C19H19F4N3O4S
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| Molecular Weight |
461.437
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| Canonical SMILES |
CS(=O)(=O)Nc1ccc(CNC(=O)N[C@@H]2CCOc3c2cccc3C(F)(F)F)cc1F
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| InChI |
InChI=1S/C19H19F4N3O4S/c1-31(28,29)26-16-6-5-11(9-14(16)20)10-24-18(27)25-15-7-8-30-17-12(15)3-2-4-13(17)19(21,22)23/h2-6,9,15,26H,7-8,10H2,1H3,(H2,24,25,27)/t15-/m1/s1
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| InChIKey |
PXAHQDPUHYVXQT-OAHLLOKOSA-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