General Information of the Compound
| Compound ID |
CP0000470
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| Compound Name |
7-bromo-5-chloro-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 |
C22H21BrClN3O2
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| Molecular Weight |
474.786
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| Canonical SMILES |
Clc1cc(Br)c2oc(cc2c1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1
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| InChI |
InChI=1S/C22H21BrClN3O2/c23-17-11-16(24)9-15-10-19(29-21(15)17)22(28)26-20-14-3-6-27(7-4-14)18(20)8-13-2-1-5-25-12-13/h1-2,5,9-12,14,18,20H,3-4,6-8H2,(H,26,28)/t18-,20+/m0/s1
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| InChIKey |
MFHBGUOACJIVFG-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