General Information of the Compound
| Compound ID |
CP0416891
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2,5-dichlorophenyl)-6-piperidin-1-yl-7H-purine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H15Cl2N5
|
||||||||||||||||||
| Molecular Weight |
348.237
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(Cl)c(c1)-c1nc(N2CCCCC2)c2nc[nH]c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H15Cl2N5/c17-10-4-5-12(18)11(8-10)14-21-15-13(19-9-20-15)16(22-14)23-6-2-1-3-7-23/h4-5,8-9H,1-3,6-7H2,(H,19,20,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BXFRMNUDRWYOKO-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