General Information of the Compound
| Compound ID |
CP0470841
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-9-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H23N11O13P2
|
||||||||||||||||||
| Molecular Weight |
675.405
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@@H]3O)n1nnc2c(N)ncnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H23N11O13P2/c20-13-7-14(23-3-22-13)30(28-27-7)17-10(32)11-6(41-17)2-39-45(36,37)43-12-9(31)5(1-38-44(34,35)42-11)40-18(12)29-4-24-8-15(29)25-19(21)26-16(8)33/h3-6,9-12,17-18,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,20,22,23)(H3,21,25,26,33)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZFYDGIYXTNSUBK-MHARETSRSA-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