General Information of the Compound
| Compound ID |
CP0476149
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| Compound Name |
2-(1,4-Diazabicyclo[3.2.2]nonan-4-yl)-5-(pyrrolidin-1-yl)oxazolo-[4,5-b]pyridine
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| Structure |
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| Formula |
C17H23N5O
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| Molecular Weight |
313.405
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| Canonical SMILES |
C1CCN(C1)c1ccc2oc(nc2n1)N1CCN2CCC1CC2
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| InChI |
InChI=1S/C17H23N5O/c1-2-8-21(7-1)15-4-3-14-16(18-15)19-17(23-14)22-12-11-20-9-5-13(22)6-10-20/h3-4,13H,1-2,5-12H2
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| InChIKey |
XMWUNJMXZHCYGZ-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