General Information of the Compound
| Compound ID |
CP0394057
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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]-2-methylphenyl]diazenyl]phenyl]methyl]-dimethylazanium;dibromide
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| Formula |
C33H42Br2N6O4
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| Molecular Weight |
746.545
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| Canonical SMILES |
[Br-].[Br-].Cc1cc(C[N+](C)(C)CC#CCOC2=NOCC2)ccc1\N=N\c1ccc(C[N+](C)(C)CC#CCOC2=NOCC2)cc1
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| InChI |
InChI=1S/C33H42N6O4.2BrH/c1-27-24-29(26-39(4,5)19-7-9-21-41-33-17-23-43-37-33)12-15-31(27)35-34-30-13-10-28(11-14-30)25-38(2,3)18-6-8-20-40-32-16-22-42-36-32;;/h10-15,24H,16-23,25-26H2,1-5H3;2*1H/q+2;;/p-2/b35-34+;;
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| InChIKey |
PHHDJUCTVRTJND-KGNAMTJXSA-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