General Information of the Compound
| Compound ID |
CP0405402
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| Compound Name |
1-methyl-3-(R)-3-[4,4-bis-(4-fluoro-phenyl)-2-oxo-imidazolidin-1-yl]-1-[2-(3-fluoro-phenyl)-2-oxo-ethyl]-pyrrolidinium
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| Structure |
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| Formula |
C28H27F3N3O2+
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| Molecular Weight |
494.537
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| Canonical SMILES |
C[N+]1(CC(=O)c2cccc(F)c2)CC[C@H](C1)N1CC(NC1=O)(c1ccc(F)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C28H26F3N3O2/c1-34(17-26(35)19-3-2-4-24(31)15-19)14-13-25(16-34)33-18-28(32-27(33)36,20-5-9-22(29)10-6-20)21-7-11-23(30)12-8-21/h2-12,15,25H,13-14,16-18H2,1H3/p+1/t25-,34?/m1/s1
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| InChIKey |
XONNUPKRLWJHEZ-HSGLFRJESA-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