General Information of the Compound
| Compound ID |
CP0387223
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| Compound Name |
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-hydroxy-2,2-dithiophen-2-ylacetamide
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| Structure |
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| Formula |
C17H20N2O2S2
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| Molecular Weight |
348.493
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| Canonical SMILES |
OC(C(=O)N[C@H]1CN2CCC1CC2)(c1cccs1)c1cccs1
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| InChI |
InChI=1S/C17H20N2O2S2/c20-16(18-13-11-19-7-5-12(13)6-8-19)17(21,14-3-1-9-22-14)15-4-2-10-23-15/h1-4,9-10,12-13,21H,5-8,11H2,(H,18,20)/t13-/m0/s1
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| InChIKey |
ZJSWMRJWTWJORH-ZDUSSCGKSA-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