General Information of the Compound
| Compound ID |
CP0394058
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| Compound Name |
4-(4,5-dihydro-1,2-oxazol-3-yloxy)but-2-ynyl-[[4-[[4-[[4-(4,5-dihydro-1,2-oxazol-3-yloxy)but-2-ynyl-dimethylazaniumyl]methyl]phenyl]diazenyl]phenyl]methyl]-dimethylazanium;dibromide
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| Formula |
C32H40Br2N6O4
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| Molecular Weight |
732.518
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| Canonical SMILES |
[Br-].[Br-].C[N+](C)(CC#CCOC1=NOCC1)Cc1ccc(cc1)\N=N/c1ccc(C[N+](C)(C)CC#CCOC2=NOCC2)cc1
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| InChI |
InChI=1S/C32H40N6O4.2BrH/c1-37(2,19-5-7-21-39-31-17-23-41-35-31)25-27-9-13-29(14-10-27)33-34-30-15-11-28(12-16-30)26-38(3,4)20-6-8-22-40-32-18-24-42-36-32;;/h9-16H,17-26H2,1-4H3;2*1H/q+2;;/p-2/b34-33-;;
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| InChIKey |
QJYWXGKXIXICDG-WXHQCUIZSA-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