General Information of the Compound
| Compound ID |
CP0877619
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| Compound Name |
4-(3-methoxyquinuclidin-3-yl)-2,2-diphenylbut-3-ynenitrile
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| Structure |
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| Formula |
C24H24N2O
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| Molecular Weight |
356.469
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| Canonical SMILES |
COC1(C#CC(C#N)(c2ccccc2)c2ccccc2)CN2CCC1CC2
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| InChI |
InChI=1S/C24H24N2O/c1-27-24(19-26-16-12-22(24)13-17-26)15-14-23(18-25,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,22H,12-13,16-17,19H2,1H3
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| InChIKey |
MMAOIAFUZKMAOY-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: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3