General Information of the Compound
| Compound ID |
CP0415428
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| Compound Name |
N-(6-methoxy-1,3-benzothiazol-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,6'-4,5-dihydro-1,3-oxazine]-2'-amine
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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(NC3=NCCC4(CN5CCC4CC5)O3)sc2c1
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| InChI |
InChI=1S/C18H22N4O2S/c1-23-13-2-3-14-15(10-13)25-17(20-14)21-16-19-7-6-18(24-16)11-22-8-4-12(18)5-9-22/h2-3,10,12H,4-9,11H2,1H3,(H,19,20,21)
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| InChIKey |
HDIHWUOVEKHKID-UHFFFAOYSA-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