General Information of the Compound
| Compound ID |
CP0013411
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| Compound Name |
7-fluoro-3-methyl-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 |
C23H24FN3O2
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| Molecular Weight |
393.462
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| Canonical SMILES |
Cc1c(oc2c(F)cccc12)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
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| InChI |
InChI=1S/C23H24FN3O2/c1-14-17-5-2-6-18(24)22(17)29-21(14)23(28)26-20-16-7-10-27(11-8-16)19(20)12-15-4-3-9-25-13-15/h2-6,9,13,16,19-20H,7-8,10-12H2,1H3,(H,26,28)/t19-,20+/m0/s1
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| InChIKey |
FZKCWERKKAIZGP-VQTJNVASSA-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