General Information of the Compound
| Compound ID |
CP0360366
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-[(E)-but-2-enyl]-3-methyl-8-(phenylmethylsulfanyl)purine-2,6-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H18N4O2S
|
||||||||||||||||||
| Molecular Weight |
342.424
|
||||||||||||||||||
| Canonical SMILES |
C\C=C\Cn1c(SCc2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H18N4O2S/c1-3-4-10-21-13-14(20(2)16(23)19-15(13)22)18-17(21)24-11-12-8-6-5-7-9-12/h3-9H,10-11H2,1-2H3,(H,19,22,23)/b4-3+
Show/Hide
|
||||||||||||||||||
| InChIKey |
TZABDFYHNLGMHW-ONEGZZNKSA-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