General Information of the Compound
| Compound ID |
CP0559281
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| Compound Name |
US9434711, 651
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| Structure |
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| Formula |
C22H14Br2F4N2O2S2
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| Molecular Weight |
638.3
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| Canonical SMILES |
Nc1ccc(cc1Br)S(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1sc2ccccc2c1Br
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| InChI |
InChI=1S/C22H14Br2F4N2O2S2/c23-16-10-13(6-8-18(16)29)34(31,32)30(21-20(24)14-3-1-2-4-19(14)33-21)11-12-5-7-17(25)15(9-12)22(26,27)28/h1-10H,11,29H2
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| InChIKey |
DYMKIDVDOJJTGT-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