General Information of the Compound
| Compound ID |
CP0391238
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| Compound Name |
[(3R)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] N-[2-(3-chlorophenyl)-4-fluorophenyl]carbamate;formate
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| Structure |
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| Formula |
C22H24ClFN2O4
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| Molecular Weight |
434.895
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| Canonical SMILES |
[O-]C=O.C[N+]12CCC(CC1)[C@H](C2)OC(=O)Nc1ccc(F)cc1-c1cccc(Cl)c1
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| InChI |
InChI=1S/C21H22ClFN2O2.CH2O2/c1-25-9-7-14(8-10-25)20(13-25)27-21(26)24-19-6-5-17(23)12-18(19)15-3-2-4-16(22)11-15;2-1-3/h2-6,11-12,14,20H,7-10,13H2,1H3;1H,(H,2,3)/t14?,20-,25?;/m0./s1
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| InChIKey |
GLSRKSNSOOXNLR-CGRXZLHLSA-N
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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: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3