General Information of the Compound
| Compound ID |
CP0526728
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(8-ethoxy-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H24N6O5
|
||||||||||||||||||
| Molecular Weight |
428.449
|
||||||||||||||||||
| Canonical SMILES |
CCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCC(=O)N\N=C\c1ccccc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H24N6O5/c1-4-31-19-22-17-16(18(29)25(3)20(30)24(17)2)26(19)11-7-10-15(28)23-21-12-13-8-5-6-9-14(13)27/h5-6,8-9,12,27H,4,7,10-11H2,1-3H3,(H,23,28)/b21-12+
Show/Hide
|
||||||||||||||||||
| InChIKey |
OCYDFIOCMFIRGY-CIAFOILYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
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