General Information of the Compound
| Compound ID |
CP0459022
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| Compound Name |
2-(5-Isopropyloxazolo[4,5-b]pyridin-2-yl)-2,5-diazabicyclo[3.2.2]-nonane
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| Structure |
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| Formula |
C16H22N4O
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| Molecular Weight |
286.379
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| Canonical SMILES |
CC(C)c1ccc2oc(nc2n1)N1CCN2CCC1CC2
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| InChI |
InChI=1S/C16H22N4O/c1-11(2)13-3-4-14-15(17-13)18-16(21-14)20-10-9-19-7-5-12(20)6-8-19/h3-4,11-12H,5-10H2,1-2H3
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| InChIKey |
IGFUQEMXLUQWDZ-UHFFFAOYSA-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: PT03697, 5-hydroxytryptamine receptor 3A
Protein ID: PT02118, Neuronal acetylcholine receptor subunit alpha-7