General Information of the Compound
| Compound ID |
CP0432227
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| Compound Name |
(3R)-N-isoquinolin-1-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
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| Structure |
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| Formula |
C18H20N4O
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| Molecular Weight |
308.385
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| Canonical SMILES |
C1N=C(Nc2nccc3ccccc23)O[C@]11CN2CCC1CC2
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| InChI |
InChI=1S/C18H20N4O/c1-2-4-15-13(3-1)5-8-19-16(15)21-17-20-11-18(23-17)12-22-9-6-14(18)7-10-22/h1-5,8,14H,6-7,9-12H2,(H,19,20,21)/t18-/m0/s1
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| InChIKey |
OTVFVXZAZCJJAE-SFHVURJKSA-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