General Information of the Compound
| Compound ID |
CP0464919
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Butyl-[9-(2-chloro-4,6-dimethoxy-phenyl)-2,8-dimethyl-9H-purin-6-yl]-ethyl-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H28ClN5O2
|
||||||||||||||||||
| Molecular Weight |
417.941
|
||||||||||||||||||
| Canonical SMILES |
CCCCN(CC)c1nc(C)nc2n(c(C)nc12)-c1c(Cl)cc(OC)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H28ClN5O2/c1-7-9-10-26(8-2)20-18-21(24-13(3)23-20)27(14(4)25-18)19-16(22)11-15(28-5)12-17(19)29-6/h11-12H,7-10H2,1-6H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KPNYSGAVVUSZPQ-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