General Information of the Compound
| Compound ID |
CP0196996
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-N-(3,5-dichlorophenyl)-7H-purine-2,6-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C11H8Cl2N6
|
||||||||||||||||||
| Molecular Weight |
295.133
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(Nc2cc(Cl)cc(Cl)c2)nc2nc[nH]c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C11H8Cl2N6/c12-5-1-6(13)3-7(2-5)17-11-18-9(14)8-10(19-11)16-4-15-8/h1-4H,(H4,14,15,16,17,18,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QAYWNNKVCPTPMF-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