General Information of the Compound
| Compound ID |
CP0025028
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| Compound Name |
N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[4-(2-hydroxyethoxymethyl)triazol-1-yl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide
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| Structure |
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| Formula |
C16H18BrFN8O4
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| Molecular Weight |
485.274
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| Canonical SMILES |
OCCOCc1cn(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)nn1
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| InChI |
InChI=1S/C16H18BrFN8O4/c17-12-7-10(1-2-13(12)18)20-16(22-28)14-15(24-30-23-14)19-3-4-26-8-11(21-25-26)9-29-6-5-27/h1-2,7-8,27-28H,3-6,9H2,(H,19,24)(H,20,22)
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| InChIKey |
LFOXSTPPEXOYIT-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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