General Information of the Compound
| Compound ID |
CP0413445
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| Compound Name |
N-benzyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-ethylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C23H28N2O5S
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| Molecular Weight |
444.553
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| Canonical SMILES |
CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1
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| InChI |
InChI=1S/C23H28N2O5S/c1-2-24(17-18-6-4-3-5-7-18)23(26)19-10-12-25(13-11-19)31(27,28)20-8-9-21-22(16-20)30-15-14-29-21/h3-9,16,19H,2,10-15,17H2,1H3
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| InChIKey |
AAJHOEQMTSTUJP-UHFFFAOYSA-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