General Information of the Compound
| Compound ID |
CP0565152
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| Compound Name |
N'-(3-bromo-4-fluorophenyl)-4-[[1-[ethoxy(ethyl)phosphoryl]piperidin-4-yl]amino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
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| Structure |
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| Formula |
C18H25BrFN6O4P
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| Molecular Weight |
519.312
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| Canonical SMILES |
CCOP(=O)(CC)N1CCC(CC1)Nc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
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| InChI |
InChI=1S/C18H25BrFN6O4P/c1-3-29-31(28,4-2)26-9-7-12(8-10-26)21-18-16(24-30-25-18)17(23-27)22-13-5-6-15(20)14(19)11-13/h5-6,11-12,27H,3-4,7-10H2,1-2H3,(H,21,25)(H,22,23)
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| InChIKey |
MJFLNVUGTBILOS-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