General Information of the Compound
| Compound ID |
CP0440620
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| Compound Name |
3-(3,4-dimethoxyphenyl)propyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-phenylcarbamate
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| Structure |
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| Formula |
C25H32N2O4
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| Molecular Weight |
424.541
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| Canonical SMILES |
COc1ccc(CCCOC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1OC
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| InChI |
InChI=1S/C25H32N2O4/c1-29-23-11-10-19(17-24(23)30-2)7-6-16-31-25(28)27(21-8-4-3-5-9-21)22-18-26-14-12-20(22)13-15-26/h3-5,8-11,17,20,22H,6-7,12-16,18H2,1-2H3
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| InChIKey |
MMSLNHRRTRWHIB-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