General Information of the Compound
| Compound ID |
CP0858802
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| Compound Name |
(2R,2'S,5'R)-1-methyl-2-(2-cyclohexyl-2-phenyl-1,3-oxathiolan-5-yl)pirrolidine
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| Structure |
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| Formula |
C20H29NOS
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| Molecular Weight |
331.525
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| Canonical SMILES |
CN1CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1
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| InChI |
InChI=1S/C20H29NOS/c1-21-14-8-13-18(21)19-15-23-20(22-19,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17-19H,3,6-8,11-15H2,1H3/t18-,19+,20-/m1/s1
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| InChIKey |
DFCLHAWGKPEFIX-HSALFYBXSA-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
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5