General Information of the Compound
| Compound ID |
CP0965140
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-amino-5-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanylmethyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H26N8O7S
|
||||||||||||||||||
| Molecular Weight |
522.544
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H26N8O7S/c21-16-8(2-27(20(33)26-16)12-1-9(30)10(3-29)34-12)4-36-5-11-14(31)15(32)19(35-11)28-7-25-13-17(22)23-6-24-18(13)28/h2,6-7,9-12,14-15,19,29-32H,1,3-5H2,(H2,21,26,33)(H2,22,23,24)/t9-,10+,11+,12+,14+,15+,19+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RDGKDEZKZNBISB-SLFMBYJQSA-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