General Information of the Compound
| Compound ID |
CP0000469
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| Compound Name |
7-pyridin-2-yl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide
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| Structure |
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| Formula |
C27H26N4O2
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| Molecular Weight |
438.531
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| Canonical SMILES |
O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2cccc(-c3ccccn3)c2o1
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| InChI |
InChI=1S/C27H26N4O2/c32-27(24-16-20-6-3-7-21(26(20)33-24)22-8-1-2-12-29-22)30-25-19-9-13-31(14-10-19)23(25)15-18-5-4-11-28-17-18/h1-8,11-12,16-17,19,23,25H,9-10,13-15H2,(H,30,32)/t23-,25+/m0/s1
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| InChIKey |
RHEXLHIHPNHWGB-UKILVPOCSA-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