General Information of the Compound
| Compound ID |
CP0454483
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[8-methyl-9-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]purin-6-yl]morpholine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23N7O
|
||||||||||||||||||
| Molecular Weight |
389.463
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc2c(ncnc2n1Cc1ccc(cc1)-c1cnn(C)c1)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23N7O/c1-15-25-19-20(27-7-9-29-10-8-27)22-14-23-21(19)28(15)12-16-3-5-17(6-4-16)18-11-24-26(2)13-18/h3-6,11,13-14H,7-10,12H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RRJUCNGXVGOTKR-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