General Information of the Compound
| Compound ID |
CP0450878
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-morpholin-4-yl-9-pyridin-3-ylpurin-6-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H23N9O2
|
||||||||||||||||||
| Molecular Weight |
457.498
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2nc(CNc3nc(nc4n(cnc34)-c3cccnc3)N3CCOCC3)[nH]c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23N9O2/c1-33-16-4-5-17-18(11-16)28-19(27-17)13-25-21-20-22(30-23(29-21)31-7-9-34-10-8-31)32(14-26-20)15-3-2-6-24-12-15/h2-6,11-12,14H,7-10,13H2,1H3,(H,27,28)(H,25,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NCXXNDPQZABATO-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