General Information of the Compound
| Compound ID |
CP0532565
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| Compound Name |
US9434711, 588
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| Structure |
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| Formula |
C17H13Br2F3N2O2S2
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| Molecular Weight |
558.239
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| Canonical SMILES |
Nc1ccc(cc1Br)S(=O)(=O)N(CCC(F)(F)F)c1sc2ccccc2c1Br
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| InChI |
InChI=1S/C17H13Br2F3N2O2S2/c18-12-9-10(5-6-13(12)23)28(25,26)24(8-7-17(20,21)22)16-15(19)11-3-1-2-4-14(11)27-16/h1-6,9H,7-8,23H2
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| InChIKey |
ZGLVGWCIXGLKJL-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