General Information of the Compound
| Compound ID |
CP0541135
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-(3-fluorophenyl)-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)purin-6-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20FN7O
|
||||||||||||||||||
| Molecular Weight |
405.437
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc(c1)-n1cnc2c(NCc3ccccn3)nc(nc12)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20FN7O/c22-15-4-3-6-17(12-15)29-14-25-18-19(24-13-16-5-1-2-7-23-16)26-21(27-20(18)29)28-8-10-30-11-9-28/h1-7,12,14H,8-11,13H2,(H,24,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BKTDJFYZVSLYHT-UHFFFAOYSA-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