General Information of the Compound
| Compound ID |
CP0536122
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(1R,2S,4S,5S)-4-[6-(methylamino)purin-9-yl]-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H19N5O8P2
|
||||||||||||||||||
| Molecular Weight |
435.27
|
||||||||||||||||||
| Canonical SMILES |
CNc1ncnc2n(cnc12)[C@H]1C[C@H](OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H19N5O8P2/c1-14-11-10-12(16-5-15-11)18(6-17-10)8-2-9(26-28(22,23)24)13(3-7(8)13)4-25-27(19,20)21/h5-9H,2-4H2,1H3,(H,14,15,16)(H2,19,20,21)(H2,22,23,24)/t7-,8+,9+,13+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FQABQZAJQNHBSV-LWIGBJQBSA-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