General Information of the Compound
| Compound ID |
CP0441678
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| Compound Name |
(2S)-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-cyclopentyl-2-hydroxy-2-thiophen-2-ylacetamide
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| Structure |
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| Formula |
C18H26N2O2S
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| Molecular Weight |
334.485
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| Canonical SMILES |
O[C@@](C1CCCC1)(C(=O)N[C@H]1CN2CCC1CC2)c1cccs1
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| InChI |
InChI=1S/C18H26N2O2S/c21-17(19-15-12-20-9-7-13(15)8-10-20)18(22,14-4-1-2-5-14)16-6-3-11-23-16/h3,6,11,13-15,22H,1-2,4-5,7-10,12H2,(H,19,21)/t15-,18+/m0/s1
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| InChIKey |
SWLGIXHESZQGPK-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