General Information of the Compound
| Compound ID |
CP0446109
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| Compound Name |
(3R)-N-(5,7-dibromopyrrolo[2,1-f][1,2,4]triazin-4-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 |
C15H16Br2N6O
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| Molecular Weight |
456.142
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| Canonical SMILES |
Brc1cc(Br)n2ncnc(NC3=NC[C@@]4(CN5CCC4CC5)O3)c12
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| InChI |
InChI=1S/C15H16Br2N6O/c16-10-5-11(17)23-12(10)13(19-8-20-23)21-14-18-6-15(24-14)7-22-3-1-9(15)2-4-22/h5,8-9H,1-4,6-7H2,(H,18,19,20,21)/t15-/m0/s1
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| InChIKey |
FBYLNDLSXDAULB-HNNXBMFYSA-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