General Information of the Compound
| Compound ID |
CP0559733
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
O-[[(2R,3S,4R)-3,4-dihydroxy-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolan-2-yl]methyl] N,N-dimethylcarbamothioate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H24N6O5S
|
||||||||||||||||||
| Molecular Weight |
424.483
|
||||||||||||||||||
| Canonical SMILES |
CN(C)C(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H24N6O5S/c1-22(2)17(29)27-6-10-12(24)13(25)16(28-10)23-8-20-11-14(18-7-19-15(11)23)21-9-3-4-26-5-9/h7-10,12-13,16,24-25H,3-6H2,1-2H3,(H,18,19,21)/t9?,10-,12-,13-,16?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HWUKZZRTOQAPGE-LFLXKQNJSA-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