General Information of the Compound
| Compound ID |
CP0532953
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| Compound Name |
9,10-dimethoxy-2-(2-phenoxyethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
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| Formula |
C22H22N2O5
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| Molecular Weight |
394.427
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| Canonical SMILES |
COc1cc2CCn3c(cc(OCCOc4ccccc4)nc3=O)-c2cc1OC
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| InChI |
InChI=1S/C22H22N2O5/c1-26-19-12-15-8-9-24-18(17(15)13-20(19)27-2)14-21(23-22(24)25)29-11-10-28-16-6-4-3-5-7-16/h3-7,12-14H,8-11H2,1-2H3
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| InChIKey |
AGXAMDRPQQZKNR-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