General Information of the Compound
| Compound ID |
CP0134809
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| Compound Name |
N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[(1-imino-1-oxothietan-3-yl)amino]-1,2,5-oxadiazole-3-carboximidamide
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| Structure |
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| Formula |
C12H12BrFN6O3S
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| Molecular Weight |
419.236
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| Canonical SMILES |
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NC1CS(=N)(=O)C1
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| InChI |
InChI=1S/C12H12BrFN6O3S/c13-8-3-6(1-2-9(8)14)16-11(18-21)10-12(20-23-19-10)17-7-4-24(15,22)5-7/h1-3,7,15,21H,4-5H2,(H,16,18)(H,17,20)
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| InChIKey |
IZFWCQWBJATDGT-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