General Information of the Compound
| Compound ID |
CP0472242
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| Compound Name |
N'-[4-fluoro-3-(trifluoromethyl)phenyl]-N-hydroxy-4-[2-[[methoxy(methyl)phosphoryl]amino]ethylamino]-1,2,5-oxadiazole-3-carboximidamide
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| Structure |
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| Formula |
C14H17F4N6O4P
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| Molecular Weight |
440.294
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| Canonical SMILES |
COP(C)(=O)NCCNc1nonc1\C(Nc1ccc(F)c(c1)C(F)(F)F)=N\O
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| InChI |
InChI=1S/C14H17F4N6O4P/c1-27-29(2,26)20-6-5-19-12-11(23-28-24-12)13(22-25)21-8-3-4-10(15)9(7-8)14(16,17)18/h3-4,7,25H,5-6H2,1-2H3,(H,19,24)(H,20,26)(H,21,22)
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| InChIKey |
VIBAZFFQGTXEDV-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