General Information of the Compound
| Compound ID |
CP0451430
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| Compound Name |
(E)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-imine
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| Structure |
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| Formula |
C18H22N4O2S
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| Molecular Weight |
358.467
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| Canonical SMILES |
COc1ccc2nc(\N=C3\OC4(CN3C)CN3CCC4CC3)sc2c1
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| InChI |
InChI=1S/C18H22N4O2S/c1-21-10-18(11-22-7-5-12(18)6-8-22)24-17(21)20-16-19-14-4-3-13(23-2)9-15(14)25-16/h3-4,9,12H,5-8,10-11H2,1-2H3/b20-17+
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| InChIKey |
SPNKKPBOZJHMMO-LVZFUZTISA-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: PT02227, 5-hydroxytryptamine receptor 3A
Protein ID: PT02118, Neuronal acetylcholine receptor subunit alpha-7