General Information of the Compound
| Compound ID |
CP0558884
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| Compound Name |
N-[(E)-benzylideneamino]-4-(8-ethoxy-1,3-dimethyl-2,6-dioxopurin-7-yl)butanamide
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| Structure |
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| Formula |
C20H24N6O4
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| Molecular Weight |
412.45
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| Canonical SMILES |
CCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCC(=O)N\N=C\c1ccccc1
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| InChI |
InChI=1S/C20H24N6O4/c1-4-30-19-22-17-16(18(28)25(3)20(29)24(17)2)26(19)12-8-11-15(27)23-21-13-14-9-6-5-7-10-14/h5-7,9-10,13H,4,8,11-12H2,1-3H3,(H,23,27)/b21-13+
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| InChIKey |
RBIPDGXUUCCTDE-FYJGNVAPSA-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
Protein ID: PT01305, 3',5'-cyclic-AMP phosphodiesterase 4B
Protein ID: PT01728, High affinity 3',5'-cyclic-AMP phosphodiesterase 7A