General Information of the Compound
| Compound ID |
CP0341678
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| Compound Name |
N'-(3-bromo-4-fluorophenyl)-4-[3-(dimethylsulfamoyl)propylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
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| Structure |
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| Formula |
C14H18BrFN6O4S
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| Molecular Weight |
465.305
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| Canonical SMILES |
CN(C)S(=O)(=O)CCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
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| InChI |
InChI=1S/C14H18BrFN6O4S/c1-22(2)27(24,25)7-3-6-17-13-12(20-26-21-13)14(19-23)18-9-4-5-11(16)10(15)8-9/h4-5,8,23H,3,6-7H2,1-2H3,(H,17,21)(H,18,19)
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| InChIKey |
KISCJPSVCYZKED-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