General Information of the Compound
| Compound ID |
CP0539241
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| Compound Name |
US9434711, 514
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| Structure |
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| Formula |
C20H15BrF3N3O4S2
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| Molecular Weight |
562.389
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| Canonical SMILES |
FC(F)(F)CCCN(c1sc2ccccc2c1Br)S(=O)(=O)c1ccc(cc1)-c1noc(=O)[nH]1
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| InChI |
InChI=1S/C20H15BrF3N3O4S2/c21-16-14-4-1-2-5-15(14)32-18(16)27(11-3-10-20(22,23)24)33(29,30)13-8-6-12(7-9-13)17-25-19(28)31-26-17/h1-2,4-9H,3,10-11H2,(H,25,26,28)
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| InChIKey |
ZKGIDTLDIQHPRP-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