General Information of the Compound
| Compound ID |
CP0136461
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-(4-Chloro-2-methoxy-phenyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H21ClN4O3
|
||||||||||||||||||
| Molecular Weight |
376.844
|
||||||||||||||||||
| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(Cl)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H21ClN4O3/c1-4-8-22-16-14(17(24)23(9-5-2)18(22)25)20-15(21-16)12-7-6-11(19)10-13(12)26-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SENICTHRDKBJSR-UHFFFAOYSA-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