General Information of the Compound
| Compound ID |
CP0451428
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| Compound Name |
US9434711, 431
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| Structure |
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| Formula |
C22H14BrF4NO4S2
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| Molecular Weight |
576.387
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| Canonical SMILES |
Fc1ccc(CN(C2=C(Br)c3ccccc3S2(=O)=O)S(=O)(=O)c2ccccc2)cc1C(F)(F)F
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| InChI |
InChI=1S/C22H14BrF4NO4S2/c23-20-16-8-4-5-9-19(16)33(29,30)21(20)28(34(31,32)15-6-2-1-3-7-15)13-14-10-11-18(24)17(12-14)22(25,26)27/h1-12H,13H2
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| InChIKey |
WGRXPVVGIHECEG-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