General Information of the Compound
| Compound ID |
CP0471232
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| Compound Name |
4-(4-methoxyphenyl)butyl 1-methyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
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| Structure |
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| Formula |
C24H29NO3
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| Molecular Weight |
379.5
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| Canonical SMILES |
COc1ccc(CCCCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1
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| InChI |
InChI=1S/C24H29NO3/c1-25-16-15-22(20-9-4-3-5-10-20)23(18-25)24(26)28-17-7-6-8-19-11-13-21(27-2)14-12-19/h3-5,9-14H,6-8,15-18H2,1-2H3
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| InChIKey |
LXDXWQRMKTXEFD-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