General Information of the Compound
| Compound ID |
CP0163137
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| Compound Name |
N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(2,2,2-trifluoroethylsulfamoyl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide
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| Structure |
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| Formula |
C13H13BrF4N6O4S
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| Molecular Weight |
505.248
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| Canonical SMILES |
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCS(=O)(=O)NCC(F)(F)F
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| InChI |
InChI=1S/C13H13BrF4N6O4S/c14-8-5-7(1-2-9(8)15)21-12(22-25)10-11(24-28-23-10)19-3-4-29(26,27)20-6-13(16,17)18/h1-2,5,20,25H,3-4,6H2,(H,19,24)(H,21,22)
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| InChIKey |
CVNDPCARSHUGKC-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