General Information of the Compound
| Compound ID |
CP0398635
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| Compound Name |
(3R)-N-(3-methylpyrrolo[1,2-a]pyrazin-1-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 |
C17H21N5O
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| Molecular Weight |
311.389
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| Canonical SMILES |
Cc1cn2cccc2c(NC2=NC[C@@]3(CN4CCC3CC4)O2)n1
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| InChI |
InChI=1S/C17H21N5O/c1-12-9-22-6-2-3-14(22)15(19-12)20-16-18-10-17(23-16)11-21-7-4-13(17)5-8-21/h2-3,6,9,13H,4-5,7-8,10-11H2,1H3,(H,18,19,20)/t17-/m0/s1
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| InChIKey |
QKLDKLQKPSEPPZ-KRWDZBQOSA-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