General Information of the Compound
| Compound ID |
CP0415329
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| Compound Name |
[(3S)-1-azabicyclo[2.2.2]octan-3-yl] (2R)-6,6-diphenyl-1,4-dioxane-2-carboxylate
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| Structure |
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| Formula |
C24H27NO4
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| Molecular Weight |
393.483
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| Canonical SMILES |
O=C(O[C@@H]1CN2CCC1CC2)[C@H]1COCC(O1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C24H27NO4/c26-23(28-21-15-25-13-11-18(21)12-14-25)22-16-27-17-24(29-22,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,18,21-22H,11-17H2/t21-,22-/m1/s1
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| InChIKey |
FTFRVHRVNAJZCB-FGZHOGPDSA-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: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5