General Information of the Compound
| Compound ID |
CP0341677
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| Compound Name |
N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(prop-2-ynylsulfamoyl)ethylamino]-1,2,5-oxadiazole-3-carboximidamide
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| Structure |
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| Formula |
C14H14BrFN6O4S
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| Molecular Weight |
461.273
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| Canonical SMILES |
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCCS(=O)(=O)NCC#C
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| InChI |
InChI=1S/C14H14BrFN6O4S/c1-2-5-18-27(24,25)7-6-17-13-12(21-26-22-13)14(20-23)19-9-3-4-11(16)10(15)8-9/h1,3-4,8,18,23H,5-7H2,(H,17,22)(H,19,20)
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| InChIKey |
NECFDNDZCZSPAB-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