General Information of the Compound
| Compound ID |
CP0476131
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| Compound Name |
3-[[(6R)-6-(2-methylpropyl)-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazin-2-yl]oxymethyl]benzonitrile
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| Structure |
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| Formula |
C19H21N3O3
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| Molecular Weight |
339.395
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| Canonical SMILES |
CC(C)C[C@@H]1COCc2nc(OCc3cccc(c3)C#N)cc(=O)n12
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| InChI |
InChI=1S/C19H21N3O3/c1-13(2)6-16-11-24-12-17-21-18(8-19(23)22(16)17)25-10-15-5-3-4-14(7-15)9-20/h3-5,7-8,13,16H,6,10-12H2,1-2H3/t16-/m1/s1
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| InChIKey |
FIUWNNXHWOQZGO-MRXNPFEDSA-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