General Information of the Compound
| Compound ID |
CP0920939
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| Compound Name |
N1-(4-(4,5-dihydroisoxazol-3-yloxy)but-2-ynyl)-N1,N1,N6,N6,N6-pentamethylhexane-1,6-diaminium bromide
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| Structure |
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| Formula |
C18H35Br2N3O2
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| Molecular Weight |
485.305
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| Canonical SMILES |
C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1.[Br-].[Br-]
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| InChI |
InChI=1S/C18H35N3O2.2BrH/c1-20(2,3)13-8-6-7-9-14-21(4,5)15-10-11-16-22-18-12-17-23-19-18;;/h6-9,12-17H2,1-5H3;2*1H/q+2;;/p-2
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| InChIKey |
YFMZADLVFZBXCN-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