General Information of the Compound
| Compound ID |
CP0505615
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| Compound Name |
3-[[2-(1-adamantyl)ethylamino]methyl]-N,N-dimethyl-2,4-dihydro-1,5-benzodioxepin-3-amine
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| Structure |
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| Formula |
C24H36N2O2
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| Molecular Weight |
384.564
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| Canonical SMILES |
CN(C)C1(CNCCC23CC4CC(CC(C4)C2)C3)COc2ccccc2OC1
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| InChI |
InChI=1S/C24H36N2O2/c1-26(2)24(16-27-21-5-3-4-6-22(21)28-17-24)15-25-8-7-23-12-18-9-19(13-23)11-20(10-18)14-23/h3-6,18-20,25H,7-17H2,1-2H3
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| InChIKey |
CWHBWBZGFMIKAF-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