General Information of the Compound
| Compound ID |
CP0544849
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| Compound Name |
9-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-2-[[(2R)-1,4-dioxan-2-yl]methoxy]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
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| Structure |
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| Formula |
C23H24N4O6
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| Molecular Weight |
452.467
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| Canonical SMILES |
O=c1nc(OC[C@H]2COCCO2)cc2-c3ccc(OCc4noc(n4)C4CC4)cc3CCn12
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| InChI |
InChI=1S/C23H24N4O6/c28-23-25-21(32-12-17-11-29-7-8-30-17)10-19-18-4-3-16(9-15(18)5-6-27(19)23)31-13-20-24-22(33-26-20)14-1-2-14/h3-4,9-10,14,17H,1-2,5-8,11-13H2/t17-/m1/s1
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| InChIKey |
UWACCCXIIBRQDS-QGZVFWFLSA-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