General Information of the Compound
| Compound ID |
CP0410686
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| Compound Name |
[(3S)-1-azabicyclo[2.2.2]octan-3-yl] (2R)-2-methyl-6,6-diphenyl-1,4-dioxane-2-carboxylate
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| Structure |
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| Formula |
C25H29NO4
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| Molecular Weight |
407.51
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| Canonical SMILES |
C[C@@]1(COCC(O1)(c1ccccc1)c1ccccc1)C(=O)O[C@@H]1CN2CCC1CC2
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| InChI |
InChI=1S/C25H29NO4/c1-24(23(27)29-22-16-26-14-12-19(22)13-15-26)17-28-18-25(30-24,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19,22H,12-18H2,1H3/t22-,24-/m1/s1
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| InChIKey |
UUQSWYMJKUSTBX-ISKFKSNPSA-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