General Information of the Compound
| Compound ID |
CP0396496
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| Compound Name |
(6R)-6-(2,2-dimethylpropyl)-2-(pyridin-2-ylmethoxy)-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazin-4-one
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| Structure |
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| Formula |
C18H23N3O3
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| Molecular Weight |
329.4
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| Canonical SMILES |
CC(C)(C)C[C@@H]1COCc2nc(OCc3ccccn3)cc(=O)n12
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| InChI |
InChI=1S/C18H23N3O3/c1-18(2,3)9-14-11-23-12-15-20-16(8-17(22)21(14)15)24-10-13-6-4-5-7-19-13/h4-8,14H,9-12H2,1-3H3/t14-/m1/s1
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| InChIKey |
QDIYOEYPJWXMRN-CQSZACIVSA-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: PT01247, Metabotropic glutamate receptor 5
Protein ID: PT00854, Metabotropic glutamate receptor 5
Protein ID: PT01515, Mu-type opioid receptor