General Information of the Compound
| Compound ID |
CP0530425
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-monoethanolamino-6-(4-nitrobenzylthio)-9-beta-D-ribofuranosylpurine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H22N6O7S
|
||||||||||||||||||
| Molecular Weight |
478.487
|
||||||||||||||||||
| Canonical SMILES |
OCCNc1nc(SCc2ccc(cc2)[N+]([O-])=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H22N6O7S/c26-6-5-20-19-22-16-13(21-9-24(16)18-15(29)14(28)12(7-27)32-18)17(23-19)33-8-10-1-3-11(4-2-10)25(30)31/h1-4,9,12,14-15,18,26-29H,5-8H2,(H,20,22,23)/t12-,14-,15-,18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LIOBGQAEUPIESD-SCFUHWHPSA-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