General Information of the Compound
| Compound ID |
CP0384752
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| Compound Name |
(3R)-5'-(4-methoxyphenyl)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 |
C22H23N3O2
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| Molecular Weight |
361.445
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| Canonical SMILES |
COc1ccc(cc1)-c1cccc2n3C[C@@]4(CN5CCC4CC5)Oc3nc12
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| InChI |
InChI=1S/C22H23N3O2/c1-26-17-7-5-15(6-8-17)18-3-2-4-19-20(18)23-21-25(19)14-22(27-21)13-24-11-9-16(22)10-12-24/h2-8,16H,9-14H2,1H3/t22-/m1/s1
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| InChIKey |
LJYIHDSSKZSGKS-JOCHJYFZSA-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