General Information of the Compound
| Compound ID |
CP0465158
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| Compound Name |
(3R)-N-(5-phenylpyridin-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 |
C20H22N4O
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| Molecular Weight |
334.423
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| Canonical SMILES |
C1N=C(Nc2ccc(cn2)-c2ccccc2)O[C@]11CN2CCC1CC2
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| InChI |
InChI=1S/C20H22N4O/c1-2-4-15(5-3-1)16-6-7-18(21-12-16)23-19-22-13-20(25-19)14-24-10-8-17(20)9-11-24/h1-7,12,17H,8-11,13-14H2,(H,21,22,23)/t20-/m0/s1
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| InChIKey |
QVNDRAXBTKXDOH-FQEVSTJZSA-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