General Information of the Compound
| Compound ID |
CP0847187
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| Compound Name |
1-Aza-bicyclo[2.2.1]heptan-3-one O-[3-(3-nitro-phenyl)-prop-2-ynyl]-oxime
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| Structure |
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| Formula |
C15H15N3O3
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| Molecular Weight |
285.303
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| Canonical SMILES |
O=[N+]([O-])c1cccc(C#CCO/N=C2\CN3CCC2C3)c1
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| InChI |
InChI=1S/C15H15N3O3/c19-18(20)14-5-1-3-12(9-14)4-2-8-21-16-15-11-17-7-6-13(15)10-17/h1,3,5,9,13H,6-8,10-11H2/b16-15+
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| InChIKey |
CWNABBKUCKBPHJ-FOCLMDBBSA-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