General Information of the Compound
| Compound ID |
CP0904030
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| Compound Name |
N1-(4-(4,5-dihydroisoxazol-3-yloxy)but-2-ynyl)-N6-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-2,2-dimethylpropyl)-N1,N1,N6,N6-tetramethylhexane-1,6-diaminium bromide
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| Structure |
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| Formula |
C34H48Br2N4O4
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| Molecular Weight |
736.59
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| Canonical SMILES |
CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1.[Br-].[Br-]
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| InChI |
InChI=1S/C34H48N4O4.2BrH/c1-34(2,25-36-32(39)28-17-13-15-27-16-14-18-29(31(27)28)33(36)40)26-38(5,6)22-10-8-7-9-20-37(3,4)21-11-12-23-41-30-19-24-42-35-30;;/h13-18H,7-10,19-26H2,1-6H3;2*1H/q+2;;/p-2
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| InChIKey |
FPHWGFLMEISJRG-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