General Information of the Compound
Compound ID |
CP0413087
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Compound Name |
1-azabicyclo[2.2.2]octan-3-yl N-[2-(3,4-dimethoxyphenyl)ethyl]-N-phenylcarbamate
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Structure |
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Formula |
C24H30N2O4
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Molecular Weight |
410.514
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Canonical SMILES |
COc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1OC
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InChI |
InChI=1S/C24H30N2O4/c1-28-21-9-8-18(16-22(21)29-2)10-15-26(20-6-4-3-5-7-20)24(27)30-23-17-25-13-11-19(23)12-14-25/h3-9,16,19,23H,10-15,17H2,1-2H3
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InChIKey |
GNHXYBDOJNQUSM-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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