General Information of the Compound
| Compound ID |
CP0476767
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| Compound Name |
2-(4-methoxyphenyl)ethyl 1-[(4-methoxyphenyl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
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| Structure |
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| Formula |
C29H31NO4
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| Molecular Weight |
457.57
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| Canonical SMILES |
COc1ccc(CCOC(=O)C2=C(CCN(Cc3ccc(OC)cc3)C2)c2ccccc2)cc1
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| InChI |
InChI=1S/C29H31NO4/c1-32-25-12-8-22(9-13-25)17-19-34-29(31)28-21-30(20-23-10-14-26(33-2)15-11-23)18-16-27(28)24-6-4-3-5-7-24/h3-15H,16-21H2,1-2H3
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| InChIKey |
JINAOYNJUTVWBQ-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