General Information of the Compound
| Compound ID |
CP0426324
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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]-2,6-difluorophenyl]diazenyl]-3,5-difluorophenyl]methyl]-dimethylazanium;dibromide
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| Formula |
C32H36Br2F4N6O4
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| Molecular Weight |
804.478
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| Canonical SMILES |
[Br-].[Br-].C[N+](C)(CC#CCOC1=NOCC1)Cc1cc(F)c(\N=N\c2c(F)cc(C[N+](C)(C)CC#CCOC3=NOCC3)cc2F)c(F)c1
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| InChI |
InChI=1S/C32H36F4N6O4.2BrH/c1-41(2,11-5-7-13-43-29-9-15-45-39-29)21-23-17-25(33)31(26(34)18-23)37-38-32-27(35)19-24(20-28(32)36)22-42(3,4)12-6-8-14-44-30-10-16-46-40-30;;/h17-20H,9-16,21-22H2,1-4H3;2*1H/q+2;;/p-2/b38-37+;;
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| InChIKey |
JGURFMYKGKJPFD-XPPIURIRSA-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