General Information of the Compound
| Compound ID |
CP0425888
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| Compound Name |
ethyl 1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
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| Structure |
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| Formula |
C23H25NO4
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| Molecular Weight |
379.456
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| Canonical SMILES |
CCOC(=O)C1=C(CCN(CCc2ccc3OCOc3c2)C1)c1ccccc1
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| InChI |
InChI=1S/C23H25NO4/c1-2-26-23(25)20-15-24(13-11-19(20)18-6-4-3-5-7-18)12-10-17-8-9-21-22(14-17)28-16-27-21/h3-9,14H,2,10-13,15-16H2,1H3
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| InChIKey |
YWVXIVQBPUFGNF-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