General Information of the Compound
| Compound ID |
CP0008526
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| Compound Name |
N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]-5-thiophen-2-ylthiophene-2-carboxamide
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| Structure |
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| Formula |
C22H23N3OS2
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| Molecular Weight |
409.58
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| Canonical SMILES |
O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccc(s1)-c1cccs1
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| InChI |
InChI=1S/C22H23N3OS2/c26-22(20-6-5-19(28-20)18-4-2-12-27-18)24-21-16-7-10-25(11-8-16)17(21)13-15-3-1-9-23-14-15/h1-6,9,12,14,16-17,21H,7-8,10-11,13H2,(H,24,26)/t17-,21+/m0/s1
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| InChIKey |
UAVBXTCRHQYQIA-LAUBAEHRSA-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