General Information of the Compound
| Compound ID |
CP0011146
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| Compound Name |
(E)-3-phenyl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]prop-2-enamide
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| Structure |
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| Formula |
C22H25N3O
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| Molecular Weight |
347.462
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| Canonical SMILES |
O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)\C=C\c1ccccc1
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| InChI |
InChI=1S/C22H25N3O/c26-21(9-8-17-5-2-1-3-6-17)24-22-19-10-13-25(14-11-19)20(22)15-18-7-4-12-23-16-18/h1-9,12,16,19-20,22H,10-11,13-15H2,(H,24,26)/b9-8+/t20-,22+/m0/s1
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| InChIKey |
CVJIJXSIQBMJHS-ITGJNFKXSA-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: PT02118, Neuronal acetylcholine receptor subunit alpha-7
Protein ID: PT01846, Neuronal acetylcholine receptor subunit alpha-7