General Information of the Compound
| Compound ID |
CP0576561
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| Compound Name |
(3R,4S)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-fluoro-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine
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| Structure |
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| Formula |
C18H22FN3O3S2
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| Molecular Weight |
411.524
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| Canonical SMILES |
Cn1ccnc1SC[C@H]1CCN(C[C@@H]1F)S(=O)(=O)c1ccc2OCCc2c1
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| InChI |
InChI=1S/C18H22FN3O3S2/c1-21-8-6-20-18(21)26-12-14-4-7-22(11-16(14)19)27(23,24)15-2-3-17-13(10-15)5-9-25-17/h2-3,6,8,10,14,16H,4-5,7,9,11-12H2,1H3/t14-,16+/m1/s1
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| InChIKey |
MWXZKSDFCSPEBK-ZBFHGGJFSA-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
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5