General Information of the Compound
| Compound ID |
CP0136232
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3R,4S,5S)-2-[6-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]purin-9-yl]-5-(ethylsulfanylmethyl)oxolane-3,4-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H27N5O3S
|
||||||||||||||||||
| Molecular Weight |
405.524
|
||||||||||||||||||
| Canonical SMILES |
CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H27N5O3S/c1-2-28-7-13-15(25)16(26)19(27-13)24-9-22-14-17(20-8-21-18(14)24)23-12-6-10-3-4-11(12)5-10/h8-13,15-16,19,25-26H,2-7H2,1H3,(H,20,21,23)/t10-,11-,12-,13+,15+,16+,19+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RKMCMRNBZHSZIX-OAXCLTTPSA-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