General Information of the Compound
| Compound ID |
CP0533459
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| Compound Name |
N'-(3-bromo-4-fluorophenyl)-4-[[1-(difluoromethylsulfonyl)piperidin-3-yl]methylamino]-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide
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| Formula |
C16H18BrF3N6O4S
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| Molecular Weight |
527.323
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| Canonical SMILES |
O\N=C(/Nc1ccc(F)c(Br)c1)c1nonc1NCC1CCCN(C1)S(=O)(=O)C(F)F
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| InChI |
InChI=1S/C16H18BrF3N6O4S/c17-11-6-10(3-4-12(11)18)22-15(23-27)13-14(25-30-24-13)21-7-9-2-1-5-26(8-9)31(28,29)16(19)20/h3-4,6,9,16,27H,1-2,5,7-8H2,(H,21,25)(H,22,23)
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| InChIKey |
RSGKCQRAGDMSDT-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