General Information of the Compound
| Compound ID |
CP0912403
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Cyclo-adenosine5'-O-Phosphate(3'->5')2-Amino-5-methyl-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4(3H)-one5'-O-Phosphate(2'->5')
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27N9O13P2
|
||||||||||||||||||
| Molecular Weight |
687.456
|
||||||||||||||||||
| Canonical SMILES |
Cc1cn([C@@H]2O[C@@H]3COP(=O)(O)O[C@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@@H]4COP(=O)(O)O[C@@H]2[C@@H]3O)c2nc(N)[nH]c(=O)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27N9O13P2/c1-7-2-30(17-10(7)19(34)29-22(24)28-17)21-15-12(32)8(41-21)3-39-45(35,36)43-14-9(4-40-46(37,38)44-15)42-20(13(14)33)31-6-27-11-16(23)25-5-26-18(11)31/h2,5-6,8-9,12-15,20-21,32-33H,3-4H2,1H3,(H,35,36)(H,37,38)(H2,23,25,26)(H3,24,28,29,34)/t8-,9-,12-,13-,14-,15-,20-,21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GVQDDXDXVYQIHM-NAGRZYTCSA-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