General Information of the Compound
| Compound ID |
CP0550791
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| Compound Name |
2-(1,4-dioxan-2-ylmethoxy)-9-(2-pyridin-2-ylethyl)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
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| Structure |
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| Formula |
C24H25N3O4
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| Molecular Weight |
419.481
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| Canonical SMILES |
O=c1nc(OCC2COCCO2)cc2-c3ccc(CCc4ccccn4)cc3CCn12
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| InChI |
InChI=1S/C24H25N3O4/c28-24-26-23(31-16-20-15-29-11-12-30-20)14-22-21-7-5-17(13-18(21)8-10-27(22)24)4-6-19-3-1-2-9-25-19/h1-3,5,7,9,13-14,20H,4,6,8,10-12,15-16H2
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| InChIKey |
CMMVXNAUFZNASV-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: PT04383, G-protein coupled receptor 84
Protein ID: PT07461, G-protein coupled receptor 84