General Information of the Compound
Compound ID |
CP0518522
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Compound Name |
US9434711, 710
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Structure |
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Formula |
C18H12BrF4NO4S2
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Molecular Weight |
526.327
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Canonical SMILES |
OC(=O)c1ccc(c(F)c1)S(=O)(=O)N(CCC(F)(F)F)c1sc2ccccc2c1Br
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InChI |
InChI=1S/C18H12BrF4NO4S2/c19-15-11-3-1-2-4-13(11)29-16(15)24(8-7-18(21,22)23)30(27,28)14-6-5-10(17(25)26)9-12(14)20/h1-6,9H,7-8H2,(H,25,26)
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InChIKey |
QLUPCGSUJWATRT-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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