General Information of the Compound
| Compound ID |
CP0517099
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| Compound Name |
US9434711, 319
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| Structure |
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| Formula |
C21H12BrClF4N2O2S2
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| Molecular Weight |
579.822
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| Canonical SMILES |
Fc1ccc(CN(c2sc3ccccc3c2Br)S(=O)(=O)c2cccnc2Cl)cc1C(F)(F)F
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| InChI |
InChI=1S/C21H12BrClF4N2O2S2/c22-18-13-4-1-2-5-16(13)32-20(18)29(33(30,31)17-6-3-9-28-19(17)23)11-12-7-8-15(24)14(10-12)21(25,26)27/h1-10H,11H2
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| InChIKey |
WJILKEGNHFTPCY-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