General Information of the Compound
| Compound ID |
CP0402396
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[3-(6-amino-2-methylpurin-9-yl)azetidin-1-yl]-[5-[(1-cycloheptylpiperidin-4-yl)methyl]-1-methylpyrazol-3-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H39N9O
|
||||||||||||||||||
| Molecular Weight |
505.671
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(N)c2ncn(C3CN(C3)C(=O)c3cc(CC4CCN(CC4)C4CCCCCC4)n(C)n3)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H39N9O/c1-18-30-25(28)24-26(31-18)36(17-29-24)22-15-35(16-22)27(37)23-14-21(33(2)32-23)13-19-9-11-34(12-10-19)20-7-5-3-4-6-8-20/h14,17,19-20,22H,3-13,15-16H2,1-2H3,(H2,28,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QIJVISXVDBWWRZ-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