General Information of the Compound
| Compound ID |
CP0413082
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| Compound Name |
(3,4-dichlorophenyl)methyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate
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| Structure |
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| Formula |
C21H22Cl2N2O2
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| Molecular Weight |
405.325
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| Canonical SMILES |
Clc1ccc(COC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1Cl
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| InChI |
InChI=1S/C21H22Cl2N2O2/c22-18-7-6-15(12-19(18)23)14-27-21(26)25(17-4-2-1-3-5-17)20-13-24-10-8-16(20)9-11-24/h1-7,12,16,20H,8-11,13-14H2
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| InChIKey |
BLFDLFBLCZXAQW-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
Protein ID: PT01516, Muscarinic acetylcholine receptor M5