General Information of the Compound
| Compound ID |
CP0472240
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| Compound Name |
N'-(3-bromo-4-fluorophenyl)-4-[2-[[ethoxy(propyl)phosphoryl]amino]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
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| Structure |
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| Formula |
C16H23BrFN6O4P
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| Molecular Weight |
493.274
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| Canonical SMILES |
CCCP(=O)(NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)OCC
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| InChI |
InChI=1S/C16H23BrFN6O4P/c1-3-9-29(26,27-4-2)20-8-7-19-15-14(23-28-24-15)16(22-25)21-11-5-6-13(18)12(17)10-11/h5-6,10,25H,3-4,7-9H2,1-2H3,(H,19,24)(H,20,26)(H,21,22)
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| InChIKey |
JGULHMRDPBPKRM-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