General Information of the Compound
| Compound ID |
CP0520497
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| Compound Name |
N'-(3-bromo-4-fluorophenyl)-4-[2-[5-[2-(dimethylamino)ethyl]-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
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| Structure |
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| Formula |
C17H24BrFN8O4S
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| Molecular Weight |
535.4
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| Canonical SMILES |
CN(C)CCN1CCN(CCNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)S1(=O)=O
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| InChI |
InChI=1S/C17H24BrFN8O4S/c1-25(2)7-8-27-10-9-26(32(27,29)30)6-5-20-16-15(23-31-24-16)17(22-28)21-12-3-4-14(19)13(18)11-12/h3-4,11,28H,5-10H2,1-2H3,(H,20,24)(H,21,22)
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| InChIKey |
UOARXWGUGPMRED-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