General Information of the Compound
| Compound ID |
CP0086188
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-[[2-(2-cyclopropylbenzimidazol-1-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]propan-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H38N8O2
|
||||||||||||||||||
| Molecular Weight |
530.677
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(CN2CCC(CC2)C(C)(C)O)nc2c(nc(nc12)-n1c(nc2ccccc12)C1CC1)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H38N8O2/c1-29(2,38)20-10-12-35(13-11-20)18-23-31-24-26(34(23)3)32-28(33-27(24)36-14-16-39-17-15-36)37-22-7-5-4-6-21(22)30-25(37)19-8-9-19/h4-7,19-20,38H,8-18H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KPIFHLRJYDTTRQ-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