General Information of the Compound
| Compound ID |
CP0149040
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1,3-diethyl-9-(4-hydroxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H21N5O3
|
||||||||||||||||||
| Molecular Weight |
355.398
|
||||||||||||||||||
| Canonical SMILES |
CCn1c2nc3N(CCCn3c2c(=O)n(CC)c1=O)c1ccc(O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H21N5O3/c1-3-20-15-14(16(25)21(4-2)18(20)26)23-11-5-10-22(17(23)19-15)12-6-8-13(24)9-7-12/h6-9,24H,3-5,10-11H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QXTXSAISAPWLPF-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