General Information of the Compound
| Compound ID |
CP0552670
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| Compound Name |
N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[(3R)-1-methylsulfonylpiperidin-3-yl]methylamino]-1,2,5-oxadiazole-3-carboximidamide
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| Formula |
C16H20BrFN6O4S
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| Molecular Weight |
491.343
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| Canonical SMILES |
CS(=O)(=O)N1CCC[C@H](CNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)C1
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| InChI |
InChI=1S/C16H20BrFN6O4S/c1-29(26,27)24-6-2-3-10(9-24)8-19-15-14(22-28-23-15)16(21-25)20-11-4-5-13(18)12(17)7-11/h4-5,7,10,25H,2-3,6,8-9H2,1H3,(H,19,23)(H,20,21)/t10-/m1/s1
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| InChIKey |
RDYSCDNIOXVFKA-SNVBAGLBSA-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