General Information of the Compound
| Compound ID |
CP0448608
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3S,4R)-5-(1,3-dibutyl-2,6-dioxopurin-7-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H31N5O6
|
||||||||||||||||||
| Molecular Weight |
437.497
|
||||||||||||||||||
| Canonical SMILES |
CCCCn1c2ncn(C3O[C@@H]([C@@H](O)[C@H]3O)C(=O)NCC)c2c(=O)n(CCCC)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H31N5O6/c1-4-7-9-23-16-12(18(29)24(20(23)30)10-8-5-2)25(11-22-16)19-14(27)13(26)15(31-19)17(28)21-6-3/h11,13-15,19,26-27H,4-10H2,1-3H3,(H,21,28)/t13-,14+,15-,19?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZOVISKJCTXUXIV-FRLFKWGPSA-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