General Information of the Compound
| Compound ID |
CP0521532
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| Compound Name |
N-[(E)-benzylideneamino]-4-(1,3-dimethyl-2,6-dioxo-8-propoxypurin-7-yl)butanamide
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| Structure |
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| Formula |
C21H26N6O4
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| Molecular Weight |
426.477
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| Canonical SMILES |
CCCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCC(=O)N\N=C\c1ccccc1
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| InChI |
InChI=1S/C21H26N6O4/c1-4-13-31-20-23-18-17(19(29)26(3)21(30)25(18)2)27(20)12-8-11-16(28)24-22-14-15-9-6-5-7-10-15/h5-7,9-10,14H,4,8,11-13H2,1-3H3,(H,24,28)/b22-14+
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| InChIKey |
BMDXRMSXXQGYQL-HYARGMPZSA-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