General Information of the Compound
| Compound ID |
CP0542835
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| Compound Name |
N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[(2S)-1-methylsulfonylpyrrolidin-2-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide
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| Structure |
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| Formula |
C15H18BrFN6O4S
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| Molecular Weight |
477.316
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| Canonical SMILES |
CS(=O)(=O)N1CCC[C@H]1CNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
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| InChI |
InChI=1S/C15H18BrFN6O4S/c1-28(25,26)23-6-2-3-10(23)8-18-14-13(21-27-22-14)15(20-24)19-9-4-5-12(17)11(16)7-9/h4-5,7,10,24H,2-3,6,8H2,1H3,(H,18,22)(H,19,20)/t10-/m0/s1
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| InChIKey |
SXEJGTMLSPHRPR-JTQLQIEISA-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