General Information of the Compound
| Compound ID |
CP0390587
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| Compound Name |
(1,1-dimethylpiperidin-1-ium-4-yl)methyl N-[2-(3-chloro-4-fluorophenyl)-4-fluorophenyl]carbamate;formate
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| Structure |
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| Formula |
C22H25ClF2N2O4
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| Molecular Weight |
454.901
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| Canonical SMILES |
[O-]C=O.C[N+]1(C)CCC(COC(=O)Nc2ccc(F)cc2-c2ccc(F)c(Cl)c2)CC1
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| InChI |
InChI=1S/C21H23ClF2N2O2.CH2O2/c1-26(2)9-7-14(8-10-26)13-28-21(27)25-20-6-4-16(23)12-17(20)15-3-5-19(24)18(22)11-15;2-1-3/h3-6,11-12,14H,7-10,13H2,1-2H3;1H,(H,2,3)
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| InChIKey |
WFJDEWRFSIRFAG-UHFFFAOYSA-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