General Information of the Compound
| Compound ID |
CP0432226
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| Compound Name |
N-(7-chloropyrrolo[2,1-f][1,2,4]triazin-4-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 |
C16H19ClN6O
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| Molecular Weight |
346.822
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| Canonical SMILES |
Clc1ccc2c(NC3=NCCC4(CN5CCC4CC5)O3)ncnn12
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| InChI |
InChI=1S/C16H19ClN6O/c17-13-2-1-12-14(19-10-20-23(12)13)21-15-18-6-5-16(24-15)9-22-7-3-11(16)4-8-22/h1-2,10-11H,3-9H2,(H,18,19,20,21)
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| InChIKey |
YKYKHUBLLYNPDU-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: PT01846, Neuronal acetylcholine receptor subunit alpha-7