General Information of the Compound
| Compound ID |
CP0457533
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-N-(9-benzyl-2-phenylpurin-6-yl)benzene-1,4-diamine
Show/Hide
|
||||||||||||||||||
| Synonyms |
CHEMBL496985
N6-[(4-Amino)-phenyl]-9-benzyl-2-phenyladenine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H20N6
|
||||||||||||||||||
| Molecular Weight |
392.466
|
||||||||||||||||||
| Canonical SMILES |
Nc1ccc(Nc2nc(nc3n(Cc4ccccc4)cnc23)-c2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H20N6/c25-19-11-13-20(14-12-19)27-23-21-24(29-22(28-23)18-9-5-2-6-10-18)30(16-26-21)15-17-7-3-1-4-8-17/h1-14,16H,15,25H2,(H,27,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RVUVWWRSIWGIQQ-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
Clinical Information about the Compound