General Information of the Compound
| Compound ID |
CP0532167
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| Compound Name |
1-cyanomethyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-1-(2-phenoxy-ethyl)-pyrrolidinium
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| Structure |
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| Formula |
C29H31N4O2+
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| Molecular Weight |
467.593
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| Canonical SMILES |
O=C1NC(CN1C1CC[N+](CCOc2ccccc2)(CC#N)C1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C29H30N4O2/c30-17-19-33(20-21-35-27-14-8-3-9-15-27)18-16-26(22-33)32-23-29(31-28(32)34,24-10-4-1-5-11-24)25-12-6-2-7-13-25/h1-15,26H,16,18-23H2/p+1
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| InChIKey |
ZVKKBJJVVACKPK-UHFFFAOYSA-O
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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: PT01266, Muscarinic acetylcholine receptor M3