General Information of the Compound
| Compound ID |
CP0005715
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| Compound Name |
2,6-difluoro-4-methoxy-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]benzamide
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| Structure |
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| Formula |
C21H23F2N3O2
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| Molecular Weight |
387.43
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| Canonical SMILES |
COc1cc(F)c(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)c(F)c1
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| InChI |
InChI=1S/C21H23F2N3O2/c1-28-15-10-16(22)19(17(23)11-15)21(27)25-20-14-4-7-26(8-5-14)18(20)9-13-3-2-6-24-12-13/h2-3,6,10-12,14,18,20H,4-5,7-9H2,1H3,(H,25,27)/t18-,20+/m0/s1
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| InChIKey |
FZZUWACJRQRLAZ-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