General Information of the Compound
| Compound ID |
CP0485957
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-(1-Benzyl-1H-pyrazol-4-yl)-6-propylamino-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H27N7O4
|
||||||||||||||||||
| Molecular Weight |
465.514
|
||||||||||||||||||
| Canonical SMILES |
CCCNc1nc(nc2n(cnc12)C1O[C@H](CO)[C@@H](O)[C@H]1O)-c1cnn(Cc2ccccc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27N7O4/c1-2-8-24-21-17-22(30(13-25-17)23-19(33)18(32)16(12-31)34-23)28-20(27-21)15-9-26-29(11-15)10-14-6-4-3-5-7-14/h3-7,9,11,13,16,18-19,23,31-33H,2,8,10,12H2,1H3,(H,24,27,28)/t16-,18-,19-,23?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OHYDAZXXQMGWMS-ICMYFROTSA-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