General Information of the Compound
| Compound ID |
CP0008057
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| Compound Name |
7-(2-methoxyphenyl)-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 |
C29H29N3O3
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| Molecular Weight |
467.569
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| Canonical SMILES |
COc1ccccc1-c1cccc2cc(oc12)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
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| InChI |
InChI=1S/C29H29N3O3/c1-34-25-10-3-2-8-22(25)23-9-4-7-21-17-26(35-28(21)23)29(33)31-27-20-11-14-32(15-12-20)24(27)16-19-6-5-13-30-18-19/h2-10,13,17-18,20,24,27H,11-12,14-16H2,1H3,(H,31,33)/t24-,27+/m0/s1
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| InChIKey |
GJGCMSZTXVMITL-RPLLCQBOSA-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