General Information of the Compound
| Compound ID |
CP0416517
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| Compound Name |
3-(4-methoxyphenyl)propyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate
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| Structure |
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| Formula |
C24H30N2O3
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| Molecular Weight |
394.515
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| Canonical SMILES |
COc1ccc(CCCOC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1
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| InChI |
InChI=1S/C24H30N2O3/c1-28-22-11-9-19(10-12-22)6-5-17-29-24(27)26(21-7-3-2-4-8-21)23-18-25-15-13-20(23)14-16-25/h2-4,7-12,20,23H,5-6,13-18H2,1H3
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| InChIKey |
HWEGXFSUSOJEQJ-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: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01516, Muscarinic acetylcholine receptor M5