General Information of the Compound
| Compound ID |
CP0421976
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| Compound Name |
4-(4,5-dihydro-1,2-oxazol-3-yloxy)but-2-ynyl-[10-[4-(4,5-dihydro-1,2-oxazol-3-yloxy)but-2-ynyl-dimethylazaniumyl]decyl]-dimethylazanium;dibromide
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| Structure |
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| Formula |
C28H48Br2N4O4
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| Molecular Weight |
664.524
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| Canonical SMILES |
[Br-].[Br-].C[N+](C)(CCCCCCCCCC[N+](C)(C)CC#CCOC1=NOCC1)CC#CCOC1=NOCC1
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| InChI |
InChI=1S/C28H48N4O4.2BrH/c1-31(2,21-13-15-23-33-27-17-25-35-29-27)19-11-9-7-5-6-8-10-12-20-32(3,4)22-14-16-24-34-28-18-26-36-30-28;;/h5-12,17-26H2,1-4H3;2*1H/q+2;;/p-2
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| InChIKey |
KKWMJTBCZCDULU-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