General Information of the Compound
| Compound ID |
CP0950857
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Cyclo-4-amino-5-phenyl-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]-pyrimidine5'-O-phosphate(3'->5')2-Amino-5-phenyl-7-beta-Dribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4(3H)-one5'-O-phosphate(2'->5')
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H34N8O13P2
|
||||||||||||||||||
| Molecular Weight |
824.637
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc2c(c(-c3ccccc3)cn2[C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cc(-c6ccccc6)c6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c(=O)[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H34N8O13P2/c35-28-22-18(16-7-3-1-4-8-16)11-41(29(22)38-15-37-28)32-25(44)26-21(53-32)14-51-57(48,49)55-27-24(43)20(13-50-56(46,47)54-26)52-33(27)42-12-19(17-9-5-2-6-10-17)23-30(42)39-34(36)40-31(23)45/h1-12,15,20-21,24-27,32-33,43-44H,13-14H2,(H,46,47)(H,48,49)(H2,35,37,38)(H3,36,39,40,45)/t20-,21-,24-,25-,26-,27-,32-,33-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MHRXVNBCEANCGW-RVTALPFISA-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 | |||||||||||||||||||
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