General Information of the Compound
| Compound ID |
CP0549177
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| Compound Name |
4-(4,5-dihydro-1,2-oxazol-3-yloxy)but-2-ynyl-[6-[4-(4,5-dihydro-1,2-oxazol-3-yloxy)but-2-ynyl-dimethylazaniumyl]hexyl]-dimethylazanium;dibromide
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| Structure |
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| Formula |
C24H40Br2N4O4
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| Molecular Weight |
608.416
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| Canonical SMILES |
[Br-].[Br-].C[N+](C)(CCCCCC[N+](C)(C)CC#CCOC1=NOCC1)CC#CCOC1=NOCC1
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| InChI |
InChI=1S/C24H40N4O4.2BrH/c1-27(2,17-9-11-19-29-23-13-21-31-25-23)15-7-5-6-8-16-28(3,4)18-10-12-20-30-24-14-22-32-26-24;;/h5-8,13-22H2,1-4H3;2*1H/q+2;;/p-2
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| InChIKey |
NUFZGPLHDHWWIG-UHFFFAOYSA-L
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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