General Information of the Compound
| Compound ID |
CP0418147
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| Compound Name |
(3R)-1-Azabicyclo[2.2.2]oct-3-yl(2S)-cyclopentyl(hydroxy)2-thienylacetate
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| Structure |
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| Formula |
C18H25NO3S
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| Molecular Weight |
335.469
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| Canonical SMILES |
O[C@@](C1CCCC1)(C(=O)O[C@H]1CN2CCC1CC2)c1cccs1
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| InChI |
InChI=1S/C18H25NO3S/c20-17(22-15-12-19-9-7-13(15)8-10-19)18(21,14-4-1-2-5-14)16-6-3-11-23-16/h3,6,11,13-15,21H,1-2,4-5,7-10,12H2/t15-,18+/m0/s1
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| InChIKey |
RBDHPXXRYPWNOU-MAUKXSAKSA-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