General Information of the Compound
| Compound ID |
CP0561230
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| Compound Name |
N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[4-[[methoxy(methyl)phosphoryl]amino]piperidin-1-yl]-1,2,5-oxadiazole-3-carboximidamide
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| Structure |
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| Formula |
C16H21BrFN6O4P
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| Molecular Weight |
491.258
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| Canonical SMILES |
COP(C)(=O)NC1CCN(CC1)c1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
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| InChI |
InChI=1S/C16H21BrFN6O4P/c1-27-29(2,26)23-10-5-7-24(8-6-10)16-14(21-28-22-16)15(20-25)19-11-3-4-13(18)12(17)9-11/h3-4,9-10,25H,5-8H2,1-2H3,(H,19,20)(H,23,26)
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| InChIKey |
GDJJIHZPFZBDIH-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