General Information of the Compound
| Compound ID |
CP0419454
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3S,4R,5R)-N-ethyl-3,4-dihydroxy-5-(6-(4-methoxybenzamido)-9H-purin-9-yl)-tetrahydrofuran-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22N6O6
|
||||||||||||||||||
| Molecular Weight |
442.432
|
||||||||||||||||||
| Canonical SMILES |
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC(=O)c3ccc(OC)cc3)ncnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22N6O6/c1-3-21-19(30)15-13(27)14(28)20(32-15)26-9-24-12-16(22-8-23-17(12)26)25-18(29)10-4-6-11(31-2)7-5-10/h4-9,13-15,20,27-28H,3H2,1-2H3,(H,21,30)(H,22,23,25,29)/t13-,14+,15-,20+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VPFWEOMLKRXUAC-LDNFRZNASA-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