General Information of the Compound
| Compound ID |
CP0387208
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| Compound Name |
2-(5-Cyclopentyloxazolo[4,5-b]pyridin-2-yl)-2,5-diazabicyclo-[3.2.2]nonane
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| Structure |
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| Formula |
C18H24N4O
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| Molecular Weight |
312.417
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| Canonical SMILES |
C1CCC(C1)c1ccc2oc(nc2n1)N1CCN2CCC1CC2
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| InChI |
InChI=1S/C18H24N4O/c1-2-4-13(3-1)15-5-6-16-17(19-15)20-18(23-16)22-12-11-21-9-7-14(22)8-10-21/h5-6,13-14H,1-4,7-12H2
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| InChIKey |
BABONEZMCPFPNW-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