General Information of the Compound
| Compound ID |
CP0518455
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| Compound Name |
3-(3-fluoro-4-methoxyphenyl)propyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate
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| Structure |
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| Formula |
C24H29FN2O3
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| Molecular Weight |
412.505
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| Canonical SMILES |
COc1ccc(CCCOC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1F
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| InChI |
InChI=1S/C24H29FN2O3/c1-29-23-10-9-18(16-21(23)25)6-5-15-30-24(28)27(20-7-3-2-4-8-20)22-17-26-13-11-19(22)12-14-26/h2-4,7-10,16,19,22H,5-6,11-15,17H2,1H3
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| InChIKey |
WQEUCWAEHCWTPL-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