General Information of the Compound
| Compound ID |
CP0382879
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| Compound Name |
1-Aza-bicyclo[2.2.1]heptan-3-one O-[3-(3-methoxy-phenyl)-prop-2-ynyl]-oxime
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| Structure |
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| Formula |
C16H18N2O2
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| Molecular Weight |
270.332
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| Canonical SMILES |
COc1cccc(c1)C#CCO\N=C1/CN2CCC1C2
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| InChI |
InChI=1S/C16H18N2O2/c1-19-15-6-2-4-13(10-15)5-3-9-20-17-16-12-18-8-7-14(16)11-18/h2,4,6,10,14H,7-9,11-12H2,1H3/b17-16+
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| InChIKey |
FXBXWJPMXQHOGD-WUKNDPDISA-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
Cell-based Assay
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5