General Information of the Compound
| Compound ID |
CP0521557
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)-9-pyridin-3-ylpurin-6-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26N10O
|
||||||||||||||||||
| Molecular Weight |
470.541
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2nc(CNc3nc(nc4n(cnc34)-c3cccnc3)N3CCN(C)CC3)[nH]c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26N10O/c1-32-8-10-33(11-9-32)24-30-22(21-23(31-24)34(15-27-21)16-4-3-7-25-13-16)26-14-20-28-18-6-5-17(35-2)12-19(18)29-20/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,28,29)(H,26,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DWZNVSPLYSTTQB-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