General Information of the Compound
| Compound ID |
CP0457190
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-(3-fluorophenyl)-N-[(5-methylpyridin-2-yl)methyl]-2-morpholin-4-ylpurin-6-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22FN7O
|
||||||||||||||||||
| Molecular Weight |
419.464
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(CNc2nc(nc3n(cnc23)-c2cccc(F)c2)N2CCOCC2)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22FN7O/c1-15-5-6-17(24-12-15)13-25-20-19-21(28-22(27-20)29-7-9-31-10-8-29)30(14-26-19)18-4-2-3-16(23)11-18/h2-6,11-12,14H,7-10,13H2,1H3,(H,25,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BAQIAIILGUBBID-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