General Information of the Compound
| Compound ID |
CP0383045
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| Compound Name |
N'-(3-bromo-4-fluorophenyl)-4-[2-[[ethoxy(phenyl)phosphoryl]amino]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
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| Structure |
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| Formula |
C19H21BrFN6O4P
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| Molecular Weight |
527.291
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| Canonical SMILES |
CCOP(=O)(NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)c1ccccc1
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| InChI |
InChI=1S/C19H21BrFN6O4P/c1-2-30-32(29,14-6-4-3-5-7-14)23-11-10-22-18-17(26-31-27-18)19(25-28)24-13-8-9-16(21)15(20)12-13/h3-9,12,28H,2,10-11H2,1H3,(H,22,27)(H,23,29)(H,24,25)
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| InChIKey |
VINSEHMLAASYLS-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