General Information of the Compound
| Compound ID |
CP0425660
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| Compound Name |
3-((2-cyclohexylethylamino)methyl)-N,N-dimethyl-3,4-dihydro-2H-benzo[b][1,4]dioxepin-3-amine
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| Structure |
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| Formula |
C20H32N2O2
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| Molecular Weight |
332.488
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| Canonical SMILES |
CN(C)C1(CNCCC2CCCCC2)COc2ccccc2OC1
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| InChI |
InChI=1S/C20H32N2O2/c1-22(2)20(14-21-13-12-17-8-4-3-5-9-17)15-23-18-10-6-7-11-19(18)24-16-20/h6-7,10-11,17,21H,3-5,8-9,12-16H2,1-2H3
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| InChIKey |
XRWFEGDYDKMREJ-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