General Information of the Compound
| Compound ID |
CP0550144
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-morpholin-4-yl-9-pyridin-3-ylpurin-6-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H20ClN9O
|
||||||||||||||||||
| Molecular Weight |
461.917
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc2[nH]c(CNc3nc(nc4n(cnc34)-c3cccnc3)N3CCOCC3)nc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20ClN9O/c23-14-3-4-16-17(10-14)28-18(27-16)12-25-20-19-21(30-22(29-20)31-6-8-33-9-7-31)32(13-26-19)15-2-1-5-24-11-15/h1-5,10-11,13H,6-9,12H2,(H,27,28)(H,25,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CNGYHBQKVYCFIB-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