General Information of the Compound
| Compound ID |
CP0519755
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[8-(furan-2-ylmethylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25N7O5
|
||||||||||||||||||
| Molecular Weight |
479.497
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2nc(NCc3ccco3)n(CCCC(=O)N\N=C\c3ccccc3O)c2c(=O)n(C)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25N7O5/c1-28-20-19(21(33)29(2)23(28)34)30(22(26-20)24-14-16-8-6-12-35-16)11-5-10-18(32)27-25-13-15-7-3-4-9-17(15)31/h3-4,6-9,12-13,31H,5,10-11,14H2,1-2H3,(H,24,26)(H,27,32)/b25-13+
Show/Hide
|
||||||||||||||||||
| InChIKey |
CDLBIFYLLHJIFS-DHRITJCHSA-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