General Information of the Compound
| Compound ID |
CP0545790
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[8-(benzylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27N7O4
|
||||||||||||||||||
| Molecular Weight |
489.536
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2nc(NCc3ccccc3)n(CCCC(=O)N\N=C\c3ccccc3O)c2c(=O)n(C)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27N7O4/c1-30-22-21(23(35)31(2)25(30)36)32(24(28-22)26-15-17-9-4-3-5-10-17)14-8-13-20(34)29-27-16-18-11-6-7-12-19(18)33/h3-7,9-12,16,33H,8,13-15H2,1-2H3,(H,26,28)(H,29,34)/b27-16+
Show/Hide
|
||||||||||||||||||
| InChIKey |
VLVVFYDVIZDRKD-JVWAILMASA-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