General Information of the Compound
| Compound ID |
CP0512709
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| Compound Name |
9,10-dimethoxy-2-(oxolan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
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| Formula |
C19H22N2O5
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| Molecular Weight |
358.394
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| Canonical SMILES |
COc1cc2CCn3c(cc(OCC4CCCO4)nc3=O)-c2cc1OC
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| InChI |
InChI=1S/C19H22N2O5/c1-23-16-8-12-5-6-21-15(14(12)9-17(16)24-2)10-18(20-19(21)22)26-11-13-4-3-7-25-13/h8-10,13H,3-7,11H2,1-2H3
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| InChIKey |
FUMPWCPPOLSIOL-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