General Information of the Compound
| Compound ID |
CP0556717
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| Compound Name |
US9434711, 146
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| Structure |
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| Formula |
C21H14F4N2O2S2
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| Molecular Weight |
466.481
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| Canonical SMILES |
Fc1cc(CN(c2cc3ncccc3s2)S(=O)(=O)c2ccccc2)ccc1C(F)(F)F
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| InChI |
InChI=1S/C21H14F4N2O2S2/c22-17-11-14(8-9-16(17)21(23,24)25)13-27(31(28,29)15-5-2-1-3-6-15)20-12-18-19(30-20)7-4-10-26-18/h1-12H,13H2
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| InChIKey |
ZDQMPAKNKFLGCA-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