General Information of the Compound
| Compound ID |
CP0443794
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| Compound Name |
4-[2-[[benzyl(ethoxy)phosphoryl]amino]ethylamino]-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
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| Structure |
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| Formula |
C20H23BrFN6O4P
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| Molecular Weight |
541.318
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| Canonical SMILES |
CCOP(=O)(Cc1ccccc1)NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O
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| InChI |
InChI=1S/C20H23BrFN6O4P/c1-2-31-33(30,13-14-6-4-3-5-7-14)24-11-10-23-19-18(27-32-28-19)20(26-29)25-15-8-9-17(22)16(21)12-15/h3-9,12,29H,2,10-11,13H2,1H3,(H,23,28)(H,24,30)(H,25,26)
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| InChIKey |
DTXLIPZCPNFSSX-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