General Information of the Compound
| Compound ID |
CP0547447
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-morpholin-4-yl-9-pyridin-4-ylpurin-6-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H19F2N9O
|
||||||||||||||||||
| Molecular Weight |
463.452
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc2[nH]c(CNc3nc(nc4n(cnc34)-c3ccncc3)N3CCOCC3)nc2c1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H19F2N9O/c23-14-1-2-15-18(17(14)24)29-16(28-15)11-26-20-19-21(31-22(30-20)32-7-9-34-10-8-32)33(12-27-19)13-3-5-25-6-4-13/h1-6,12H,7-11H2,(H,28,29)(H,26,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IGZSQKAIRHNQEV-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
Protein ID: PT01351, Casein kinase I isoform delta
Protein ID: PT01551, Casein kinase I isoform epsilon