General Information of the Compound
| Compound ID |
CP0767830
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| Compound Name |
N1-(4-(4,5-dihydroisoxazol-3-yloxy)but-2-ynyl)-N6-(3-(1,3-dioxoisoindolin-2-yl)propyl)-N1,N1,N6,N6-tetramethylhexane-1,6-diaminium bromide
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| Structure |
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| Formula |
C28H42Br2N4O4
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| Molecular Weight |
658.476
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| Canonical SMILES |
C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O.[Br-].[Br-]
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| InChI |
InChI=1S/C28H42N4O4.2BrH/c1-31(2,20-11-12-22-35-26-16-23-36-29-26)18-9-5-6-10-19-32(3,4)21-13-17-30-27(33)24-14-7-8-15-25(24)28(30)34;;/h7-8,14-15H,5-6,9-10,13,16-23H2,1-4H3;2*1H/q+2;;/p-2
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| InChIKey |
SBONEZDXYPUBMG-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
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01516, Muscarinic acetylcholine receptor M5