General Information of the Compound
| Compound ID |
CP0066695
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| Compound Name |
6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3,5-trimethylpyrrolo[3,2-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C18H17N3O4
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| Molecular Weight |
339.351
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| Canonical SMILES |
Cn1c(\C=C\c2ccc3OCOc3c2)cc2n(C)c(=O)n(C)c(=O)c12
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| InChI |
InChI=1S/C18H17N3O4/c1-19-12(6-4-11-5-7-14-15(8-11)25-10-24-14)9-13-16(19)17(22)21(3)18(23)20(13)2/h4-9H,10H2,1-3H3/b6-4+
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| InChIKey |
LQPREAQKIYKQRO-GQCTYLIASA-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