General Information of the Compound
| Compound ID |
CP0421918
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| Compound Name |
3-((4-isopropylphenethylamino)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 |
C23H32N2O2
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| Molecular Weight |
368.521
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| Canonical SMILES |
CC(C)c1ccc(CCNCC2(COc3ccccc3OC2)N(C)C)cc1
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| InChI |
InChI=1S/C23H32N2O2/c1-18(2)20-11-9-19(10-12-20)13-14-24-15-23(25(3)4)16-26-21-7-5-6-8-22(21)27-17-23/h5-12,18,24H,13-17H2,1-4H3
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| InChIKey |
LAYPCPWQLOVMFU-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