General Information of the Compound
| Compound ID |
CP0550689
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-N-(4-aminobutyl)-9-cyclopentyl-6-N-[2-(morpholin-4-ylmethyl)phenyl]purine-2,6-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H36N8O
|
||||||||||||||||||
| Molecular Weight |
464.618
|
||||||||||||||||||
| Canonical SMILES |
NCCCCNc1nc(Nc2ccccc2CN2CCOCC2)c2ncn(C3CCCC3)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H36N8O/c26-11-5-6-12-27-25-30-23(22-24(31-25)33(18-28-22)20-8-2-3-9-20)29-21-10-4-1-7-19(21)17-32-13-15-34-16-14-32/h1,4,7,10,18,20H,2-3,5-6,8-9,11-17,26H2,(H2,27,29,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KHLSVNSWBIQZIE-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
Protein ID: PT01092, Platelet-derived growth factor receptor alpha
Cell Viability or Cytotoxicity Assay