General Information of the Compound
| Compound ID |
CP0006360
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| Compound Name |
5-chloro-3-methoxy-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 |
C23H24ClN3O3
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| Molecular Weight |
425.916
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| Canonical SMILES |
COc1c(oc2ccc(Cl)cc12)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
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| InChI |
InChI=1S/C23H24ClN3O3/c1-29-21-17-12-16(24)4-5-19(17)30-22(21)23(28)26-20-15-6-9-27(10-7-15)18(20)11-14-3-2-8-25-13-14/h2-5,8,12-13,15,18,20H,6-7,9-11H2,1H3,(H,26,28)/t18-,20+/m0/s1
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| InChIKey |
OIRQDWMLNIFQQH-AZUAARDMSA-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