General Information of the Compound
| Compound ID |
CP0560224
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| Compound Name |
N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[[(1R,3R)-3-(sulfamoylamino)cyclohexyl]methylamino]-1,2,5-oxadiazole-3-carboximidamide
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| Formula |
C16H21BrFN7O4S
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| Molecular Weight |
506.358
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| Canonical SMILES |
NS(=O)(=O)N[C@@H]1CCC[C@@H](CNc2nonc2\C(Nc2ccc(F)c(Br)c2)=N\O)C1
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| InChI |
InChI=1S/C16H21BrFN7O4S/c17-12-7-10(4-5-13(12)18)21-16(22-26)14-15(24-29-23-14)20-8-9-2-1-3-11(6-9)25-30(19,27)28/h4-5,7,9,11,25-26H,1-3,6,8H2,(H,20,24)(H,21,22)(H2,19,27,28)/t9-,11-/m1/s1
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| InChIKey |
XNXRIEPYYJMBHW-MWLCHTKSSA-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