General Information of the Compound
| Compound ID |
CP0352408
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| Compound Name |
N'-(3-bromo-4-fluorophenyl)-4-[2-[(N-cyano-S-methylsulfonimidoyl)amino]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
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| Structure |
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| Formula |
C13H14BrFN8O3S
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| Molecular Weight |
461.277
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| Canonical SMILES |
CS(=O)(NCCNc1nonc1\C(Nc1ccc(F)c(Br)c1)=N\O)=NC#N
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| InChI |
InChI=1S/C13H14BrFN8O3S/c1-27(25,19-7-16)18-5-4-17-12-11(22-26-23-12)13(21-24)20-8-2-3-10(15)9(14)6-8/h2-3,6,24H,4-5H2,1H3,(H,17,23)(H,20,21)(H,18,19,25)
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| InChIKey |
SQYHDXKYNGEQTK-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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