General Information of the Compound
| Compound ID |
CP0441415
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Butyl-[9-(2-chloro-4,6-dimethoxy-phenyl)-2-methyl-8-phenyl-9H-purin-6-yl]-ethyl-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30ClN5O2
|
||||||||||||||||||
| Molecular Weight |
480.012
|
||||||||||||||||||
| Canonical SMILES |
CCCCN(CC)c1nc(C)nc2n(c(nc12)-c1ccccc1)-c1c(Cl)cc(OC)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30ClN5O2/c1-6-8-14-31(7-2)25-22-26(29-17(3)28-25)32(24(30-22)18-12-10-9-11-13-18)23-20(27)15-19(33-4)16-21(23)34-5/h9-13,15-16H,6-8,14H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PZERWQCMFDNEGC-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