General Information of the Compound
| Compound ID |
CP0328960
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| Compound Name |
N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-[5-(2-methoxyethyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethylamino]-1,2,5-oxadiazole-3-carboximidamide
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| Structure |
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| Formula |
C16H21BrFN7O5S
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| Molecular Weight |
522.357
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| Canonical SMILES |
COCCN1CCN(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)S1(=O)=O
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| InChI |
InChI=1S/C16H21BrFN7O5S/c1-29-9-8-25-7-6-24(31(25,27)28)5-4-19-15-14(22-30-23-15)16(21-26)20-11-2-3-13(18)12(17)10-11/h2-3,10,26H,4-9H2,1H3,(H,19,23)(H,20,21)
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| InChIKey |
NQGJIPSSKWDBFO-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