General Information of the Compound
| Compound ID |
CP0470885
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| Compound Name |
7-methyl-3-(oxolan-2-ylmethyl)-8-phenyl-1-propylpurine-2,6-dione
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| Structure |
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| Formula |
C20H24N4O3
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| Molecular Weight |
368.437
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| Canonical SMILES |
CCCn1c(=O)n(CC2CCCO2)c2nc(-c3ccccc3)n(C)c2c1=O
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| InChI |
InChI=1S/C20H24N4O3/c1-3-11-23-19(25)16-18(24(20(23)26)13-15-10-7-12-27-15)21-17(22(16)2)14-8-5-4-6-9-14/h4-6,8-9,15H,3,7,10-13H2,1-2H3
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| InChIKey |
VCIIOUUPQGNWHP-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