General Information of the Compound
| Compound ID |
CP0549936
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| Compound Name |
US9040693, 202
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| Structure |
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| Formula |
C22H17FN2O6S2
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| Molecular Weight |
488.518
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| Canonical SMILES |
CC(C)(c1ccccc1)S(=O)(=O)c1ccc(F)c(c1)-n1c(=O)[nH]c2csc(C(O)=O)c2c1=O
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| InChI |
InChI=1S/C22H17FN2O6S2/c1-22(2,12-6-4-3-5-7-12)33(30,31)13-8-9-14(23)16(10-13)25-19(26)17-15(24-21(25)29)11-32-18(17)20(27)28/h3-11H,1-2H3,(H,24,29)(H,27,28)
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| InChIKey |
QXBWZICACGJAHJ-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