General Information of the Compound
| Compound ID |
CP0440619
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| Compound Name |
1-azabicyclo[2.2.2]octan-3-yl N-[2-(4-fluorophenyl)ethyl]-N-phenylcarbamate
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| Structure |
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| Formula |
C22H25FN2O2
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| Molecular Weight |
368.452
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| Canonical SMILES |
Fc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1
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| InChI |
InChI=1S/C22H25FN2O2/c23-19-8-6-17(7-9-19)10-15-25(20-4-2-1-3-5-20)22(26)27-21-16-24-13-11-18(21)12-14-24/h1-9,18,21H,10-16H2
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| InChIKey |
UBXUDWCOFMMEAI-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: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5