General Information of the Compound
| Compound ID |
CP0424219
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| Compound Name |
N,N-dimethyl-3-[[2-(4-methylphenyl)ethylamino]methyl]-2,4-dihydro-1,5-benzodioxepin-3-amine
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| Structure |
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| Formula |
C21H28N2O2
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| Molecular Weight |
340.467
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| Canonical SMILES |
CN(C)C1(CNCCc2ccc(C)cc2)COc2ccccc2OC1
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| InChI |
InChI=1S/C21H28N2O2/c1-17-8-10-18(11-9-17)12-13-22-14-21(23(2)3)15-24-19-6-4-5-7-20(19)25-16-21/h4-11,22H,12-16H2,1-3H3
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| InChIKey |
PLQQFQYHSIBALT-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