General Information of the Compound
| Compound ID |
CP0866561
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| Compound Name |
endo-8-[6-(N-(3-(1,3-Dioxoisoindolin-2-yl)propyl)-N,N-dimethylamino)hexyl]-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octan-8-ium bromide
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| Structure |
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| Formula |
C38H55Br2N3O5
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| Molecular Weight |
793.682
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| Canonical SMILES |
CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2.[Br-].[Br-]
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| InChI |
InChI=1S/C38H55N3O5.2BrH/c1-38(2,26-39-35(43)32-17-11-12-18-33(32)36(39)44)27-40(3,4)21-13-6-7-14-22-41(5)29-19-20-30(41)24-31(23-29)46-37(45)34(25-42)28-15-9-8-10-16-28;;/h8-12,15-18,29-31,34,42H,6-7,13-14,19-27H2,1-5H3;2*1H/q+2;;/p-2/t29-,30-,31?,34?,41?;;/m1../s1
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| InChIKey |
YPFQADFBYRSGKK-GRUMGNEYSA-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