General Information of the Compound
| Compound ID |
CP0432768
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3R,4S,5S)-2-(6-(5-chloro-2-methoxybenzylamino)-9H-purin-9-yl)-4-(aminomethyl)-5-(hydroxymethyl)-tetrahydrofuran-3-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H23ClN6O4
|
||||||||||||||||||
| Molecular Weight |
434.884
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Cl)cc1CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](CN)[C@H]1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H23ClN6O4/c1-29-13-3-2-11(20)4-10(13)6-22-17-15-18(24-8-23-17)26(9-25-15)19-16(28)12(5-21)14(7-27)30-19/h2-4,8-9,12,14,16,19,27-28H,5-7,21H2,1H3,(H,22,23,24)/t12-,14-,16-,19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SESOMNINYWTXPA-OZSDWXKXSA-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