General Information of the Compound
| Compound ID |
CP0423918
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| Compound Name |
US9434711, 155
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| Structure |
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| Formula |
C21H13BrF3NO2S2
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| Molecular Weight |
512.372
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| Canonical SMILES |
Fc1cccc(c1)S(=O)(=O)N(Cc1ccc(F)c(F)c1)c1sc2ccccc2c1Br
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| InChI |
InChI=1S/C21H13BrF3NO2S2/c22-20-16-6-1-2-7-19(16)29-21(20)26(12-13-8-9-17(24)18(25)10-13)30(27,28)15-5-3-4-14(23)11-15/h1-11H,12H2
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| InChIKey |
LRYZRVPAADTOTR-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