General Information of the Compound
| Compound ID |
CP0521681
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| Compound Name |
(2-methoxy-2-phenylethyl) 1-methyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
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| Structure |
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| Formula |
C22H25NO3
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| Molecular Weight |
351.446
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| Canonical SMILES |
COC(COC(=O)C1=C(CCN(C)C1)c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C22H25NO3/c1-23-14-13-19(17-9-5-3-6-10-17)20(15-23)22(24)26-16-21(25-2)18-11-7-4-8-12-18/h3-12,21H,13-16H2,1-2H3
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| InChIKey |
AEJZEJNDBGAPHB-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: PT01516, Muscarinic acetylcholine receptor M5