General Information of the Compound
| Compound ID |
CP0531479
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| Compound Name |
US9434711, 312
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| Structure |
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| Formula |
C24H16BrF4NO3S2
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| Molecular Weight |
586.426
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| Canonical SMILES |
CC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1sc2ccccc2c1Br
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| InChI |
InChI=1S/C24H16BrF4NO3S2/c1-14(31)16-7-9-17(10-8-16)35(32,33)30(23-22(25)18-4-2-3-5-21(18)34-23)13-15-6-11-20(26)19(12-15)24(27,28)29/h2-12H,13H2,1H3
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| InChIKey |
OYQLAQINLGTZPI-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