General Information of the Compound
| Compound ID |
CP0424697
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[[(2R,3S,4R,5R)-5-[6-(benzylamino)-2-pyrrolidin-1-ylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H30N6O9P2
|
||||||||||||||||||
| Molecular Weight |
584.463
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H]1[C@@H](COP(O)(=O)CP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H30N6O9P2/c29-17-15(11-36-39(34,35)13-38(31,32)33)37-21(18(17)30)28-12-24-16-19(23-10-14-6-2-1-3-7-14)25-22(26-20(16)28)27-8-4-5-9-27/h1-3,6-7,12,15,17-18,21,29-30H,4-5,8-11,13H2,(H,34,35)(H,23,25,26)(H2,31,32,33)/t15-,17-,18-,21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KUXIRIUARNERMJ-QTQZEZTPSA-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