General Information of the Compound
| Compound ID |
CP0511887
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| Compound Name |
1-methyl-3-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-1-(3-phenyl-oxiranylmethyl)-pyrrolidinium
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| Structure |
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| Formula |
C29H32N3O2+
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| Molecular Weight |
454.594
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| Canonical SMILES |
C[N+]1(C[C@H]2O[C@@H]2c2ccccc2)CCC(C1)N1CC(NC1=O)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C29H31N3O2/c1-32(20-26-27(34-26)22-11-5-2-6-12-22)18-17-25(19-32)31-21-29(30-28(31)33,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16,25-27H,17-21H2,1H3/p+1/t25?,26-,27-,32?/m1/s1
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| InChIKey |
FDJOVQRCCRYZCJ-URNYMRNVSA-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