General Information of the Compound
| Compound ID |
CP0461474
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| Compound Name |
7-fluoro-N,N-dimethyl-3-((2-(tetrahydro-2H-pyran-4-yl)ethylamino)methyl)-3,4-dihydro-2H-benzo[b][1,4]dioxepin-3-amine
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| Structure |
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| Formula |
C19H29FN2O3
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| Molecular Weight |
352.45
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| Canonical SMILES |
CN(C)C1(CNCCC2CCOCC2)COc2ccc(F)cc2OC1
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| InChI |
InChI=1S/C19H29FN2O3/c1-22(2)19(12-21-8-5-15-6-9-23-10-7-15)13-24-17-4-3-16(20)11-18(17)25-14-19/h3-4,11,15,21H,5-10,12-14H2,1-2H3
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| InChIKey |
BOXRBFJLKOMZNE-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