General Information of the Compound
| Compound ID |
CP0862072
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| Compound Name |
(R)-1-cyclohexyl-3-((R)-3-methoxyquinuclidin-3-yl)-1-phenylprop-2-yn-1-ol
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| Structure |
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| Formula |
C23H31NO2
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| Molecular Weight |
353.506
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| Canonical SMILES |
CO[C@]1(C#C[C@](O)(c2ccccc2)C2CCCCC2)CN2CCC1CC2
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| InChI |
InChI=1S/C23H31NO2/c1-26-22(18-24-16-12-19(22)13-17-24)14-15-23(25,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2,4-5,8-9,19,21,25H,3,6-7,10-13,16-18H2,1H3/t22-,23+/m1/s1
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| InChIKey |
VBKBVALDNMYEBZ-PKTZIBPZSA-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