General Information of the Compound
| Compound ID |
CP0453707
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3R,4S,5R)-2-[6-amino-8-(naphthalen-2-ylmethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22N6O4
|
||||||||||||||||||
| Molecular Weight |
422.445
|
||||||||||||||||||
| Canonical SMILES |
Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc4ccccc4c3)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22N6O4/c22-18-15-19(25-10-24-18)27(20-17(30)16(29)14(9-28)31-20)21(26-15)23-8-11-5-6-12-3-1-2-4-13(12)7-11/h1-7,10,14,16-17,20,28-30H,8-9H2,(H,23,26)(H2,22,24,25)/t14-,16-,17-,20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JNTFHPWPBKZFDG-WVSUBDOOSA-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