General Information of the Compound
| Compound ID |
CP0466113
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| Compound Name |
9-(3-anilinoprop-1-ynyl)-2-(1,4-dioxan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
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| Structure |
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| Formula |
C26H25N3O4
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| Molecular Weight |
443.503
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| Canonical SMILES |
O=c1nc(OCC2COCCO2)cc2-c3ccc(cc3CCn12)C#CCNc1ccccc1
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| InChI |
InChI=1S/C26H25N3O4/c30-26-28-25(33-18-22-17-31-13-14-32-22)16-24-23-9-8-19(15-20(23)10-12-29(24)26)5-4-11-27-21-6-2-1-3-7-21/h1-3,6-9,15-16,22,27H,10-14,17-18H2
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| InChIKey |
YHSONAVIPVCZDX-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