General Information of the Compound
| Compound ID |
CP0239509
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-9-[(1R,6R,8R,9R,10S,15R,17R,18R)-3,9,12,18-tetrahydroxy-8-(6-methylsulfanylpurin-9-yl)-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 |
C21H25N9O13P2S
|
||||||||||||||||||
| Molecular Weight |
705.496
|
||||||||||||||||||
| Canonical SMILES |
CSc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(=O)O[C@H]2[C@H]1O)O[C@H]3n1cnc2c1nc(N)[nH]c2=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25N9O13P2S/c1-46-18-10-15(23-4-24-18)29(6-26-10)19-12(32)13-8(41-19)3-39-45(36,37)43-14-11(31)7(2-38-44(34,35)42-13)40-20(14)30-5-25-9-16(30)27-21(22)28-17(9)33/h4-8,11-14,19-20,31-32H,2-3H2,1H3,(H,34,35)(H,36,37)(H3,22,27,28,33)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VYEJASBQTJTXQH-XPWFQUROSA-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