General Information of the Compound
| Compound ID |
CP0558926
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| Compound Name |
4-(benzylamino)-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
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| Structure |
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| Formula |
C16H13BrFN5O2
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| Molecular Weight |
406.215
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| Canonical SMILES |
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCc1ccccc1
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| InChI |
InChI=1S/C16H13BrFN5O2/c17-12-8-11(6-7-13(12)18)20-16(21-24)14-15(23-25-22-14)19-9-10-4-2-1-3-5-10/h1-8,24H,9H2,(H,19,23)(H,20,21)
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| InChIKey |
XTEBFDOOXBYXAZ-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