General Information of the Compound
| Compound ID |
CP0434325
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| Compound Name |
ethyl 1-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
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| Structure |
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| Formula |
C28H34N2O3
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| Molecular Weight |
446.591
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| Canonical SMILES |
CCOC(=O)C1=C(CCN(C1)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccccc1
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| InChI |
InChI=1S/C28H34N2O3/c1-4-33-28(32)25-19-30(18-15-24(25)22-11-6-5-7-12-22)23-13-16-29(17-14-23)27(31)26-20(2)9-8-10-21(26)3/h5-12,23H,4,13-19H2,1-3H3
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| InChIKey |
XGIUIURNWCLFNT-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