General Information of the Compound
| Compound ID |
CP0563028
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| Compound Name |
N'-(3-bromo-4-fluorophenyl)-4-[[1-[ethoxy(methyl)phosphoryl]piperidin-4-yl]amino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
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| Structure |
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| Formula |
C17H23BrFN6O4P
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| Molecular Weight |
505.285
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| Canonical SMILES |
CCOP(C)(=O)N1CCC(CC1)Nc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
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| InChI |
InChI=1S/C17H23BrFN6O4P/c1-3-28-30(2,27)25-8-6-11(7-9-25)20-17-15(23-29-24-17)16(22-26)21-12-4-5-14(19)13(18)10-12/h4-5,10-11,26H,3,6-9H2,1-2H3,(H,20,24)(H,21,22)
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| InChIKey |
XKDSUQHYXGQFAO-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