General Information of the Compound
| Compound ID |
CP0531146
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| Compound Name |
N-(6-chloro-1,3-benzothiazol-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
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| Structure |
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| Formula |
C16H17ClN4OS
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| Molecular Weight |
348.859
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| Canonical SMILES |
Clc1ccc2nc(NC3=NCC4(CN5CCC4CC5)O3)sc2c1
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| InChI |
InChI=1S/C16H17ClN4OS/c17-11-1-2-12-13(7-11)23-15(19-12)20-14-18-8-16(22-14)9-21-5-3-10(16)4-6-21/h1-2,7,10H,3-6,8-9H2,(H,18,19,20)
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| InChIKey |
JFPMKTAXLLHMRR-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