General Information of the Compound
| Compound ID |
CP0428232
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-benzylamino-6-(4-nitrobenzylthio)-9-beta-D-ribofuranosylpurine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24N6O6S
|
||||||||||||||||||
| Molecular Weight |
524.559
|
||||||||||||||||||
| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccc(cc3)[N+]([O-])=O)nc(NCc3ccccc3)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24N6O6S/c31-11-17-19(32)20(33)23(36-17)29-13-26-18-21(29)27-24(25-10-14-4-2-1-3-5-14)28-22(18)37-12-15-6-8-16(9-7-15)30(34)35/h1-9,13,17,19-20,23,31-33H,10-12H2,(H,25,27,28)/t17-,19-,20-,23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OZVVAXZRRDJZQV-ZDXOVATRSA-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