General Information of the Compound
| Compound ID |
CP0459021
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| Compound Name |
2-(6-(1H-Pyrazol-3-yl)oxazolo[4,5-b]pyridin-2-yl)-2,5-diazabicyclo[3.2.2]nonane
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| Structure |
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| Formula |
C16H18N6O
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| Molecular Weight |
310.361
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| Canonical SMILES |
C1CN2CCC1N(CC2)c1nc2ncc(cc2o1)-c1cc[nH]n1
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| InChI |
InChI=1S/C16H18N6O/c1-4-18-20-13(1)11-9-14-15(17-10-11)19-16(23-14)22-8-7-21-5-2-12(22)3-6-21/h1,4,9-10,12H,2-3,5-8H2,(H,18,20)
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| InChIKey |
YIVPWPXEISZQBJ-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