General Information of the Compound
| Compound ID |
CP0519754
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| Compound Name |
4-(1,3-dimethyl-2,6-dioxo-8-propoxypurin-7-yl)-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]butanamide
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| Structure |
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| Formula |
C22H28N6O6
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| Molecular Weight |
472.502
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| Canonical SMILES |
CCCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCC(=O)N\N=C\c1ccc(OC)cc1O
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| InChI |
InChI=1S/C22H28N6O6/c1-5-11-34-21-24-19-18(20(31)27(3)22(32)26(19)2)28(21)10-6-7-17(30)25-23-13-14-8-9-15(33-4)12-16(14)29/h8-9,12-13,29H,5-7,10-11H2,1-4H3,(H,25,30)/b23-13+
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| InChIKey |
XVYGFNMRBCRTQQ-YDZHTSKRSA-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