General Information of the Compound
| Compound ID |
CP0559645
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| Compound Name |
US9067935, 25
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| Structure |
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| Formula |
C21H14BrF4N3O2S
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| Molecular Weight |
528.325
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| Canonical SMILES |
Fc1cc(CN(c2nc3ccccn3c2Br)S(=O)(=O)c2ccccc2)ccc1C(F)(F)F
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| InChI |
InChI=1S/C21H14BrF4N3O2S/c22-19-20(27-18-8-4-5-11-28(18)19)29(32(30,31)15-6-2-1-3-7-15)13-14-9-10-16(17(23)12-14)21(24,25)26/h1-12H,13H2
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| InChIKey |
JPOGJWJJKKTTLA-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