General Information of the Compound
| Compound ID |
CP0482413
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| Compound Name |
(3R)-7'-(trifluoromethyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole]
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| Structure |
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| Formula |
C16H16F3N3O
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| Molecular Weight |
323.318
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| Canonical SMILES |
FC(F)(F)c1ccc2nc3O[C@@]4(Cn3c2c1)CN1CCC4CC1
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| InChI |
InChI=1S/C16H16F3N3O/c17-16(18,19)11-1-2-12-13(7-11)22-9-15(23-14(22)20-12)8-21-5-3-10(15)4-6-21/h1-2,7,10H,3-6,8-9H2/t15-/m1/s1
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| InChIKey |
VELKUFJRZQSDQI-OAHLLOKOSA-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