General Information of the Compound
| Compound ID |
CP0526742
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-(6-oxo-1H-purin-9-yl)-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] [(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-(6-oxo-1H-purin-9-yl)-1-bicyclo[3.1.0]hexanyl]methyl hydrogen phosphate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28N8O13P2
|
||||||||||||||||||
| Molecular Weight |
698.479
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H]1[C@H](O)[C@]2(COP(O)(=O)OP(O)(=O)OC[C@@]34C[C@@H]3[C@H]([C@H](O)[C@@H]4O)n3cnc4c3nc[nH]c4=O)C[C@@H]2[C@H]1n1cnc2c1nc[nH]c2=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28N8O13P2/c33-15-13(31-7-29-11-19(31)25-5-27-21(11)37)9-1-23(9,17(15)35)3-43-46(39,40)45-47(41,42)44-4-24-2-10(24)14(16(34)18(24)36)32-8-30-12-20(32)26-6-28-22(12)38/h5-10,13-18,33-36H,1-4H2,(H,39,40)(H,41,42)(H,25,27,37)(H,26,28,38)/t9-,10-,13-,14-,15+,16+,17+,18+,23+,24+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HKLYEPRMHJKRRV-YAZKJGFISA-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