General Information of the Compound
| Compound ID |
CP0476766
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| Compound Name |
2-(2,3-dihydro-1-benzofuran-5-yl)ethyl 1-butyl-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
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| Structure |
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| Formula |
C26H31NO3
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| Molecular Weight |
405.538
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| Canonical SMILES |
CCCCN1CCC(=C(C1)C(=O)OCCc1ccc2OCCc2c1)c1ccccc1
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| InChI |
InChI=1S/C26H31NO3/c1-2-3-14-27-15-11-23(21-7-5-4-6-8-21)24(19-27)26(28)30-16-12-20-9-10-25-22(18-20)13-17-29-25/h4-10,18H,2-3,11-17,19H2,1H3
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| InChIKey |
LHLPOJBXYYEZND-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