General Information of the Compound
| Compound ID |
CP0458618
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| Compound Name |
3-((2,6-dichlorophenethylamino)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 |
C20H24Cl2N2O2
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| Molecular Weight |
395.33
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| Canonical SMILES |
CN(C)C1(CNCCc2c(Cl)cccc2Cl)COc2ccccc2OC1
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| InChI |
InChI=1S/C20H24Cl2N2O2/c1-24(2)20(13-25-18-8-3-4-9-19(18)26-14-20)12-23-11-10-15-16(21)6-5-7-17(15)22/h3-9,23H,10-14H2,1-2H3
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| InChIKey |
NTVCTXKXWYXMHR-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