General Information of the Compound
| Compound ID |
CP0416892
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3-chlorophenyl)-6-piperidin-1-yl-7H-purine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H16ClN5
|
||||||||||||||||||
| Molecular Weight |
313.792
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(c1)-c1nc(N2CCCCC2)c2nc[nH]c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H16ClN5/c17-12-6-4-5-11(9-12)14-20-15-13(18-10-19-15)16(21-14)22-7-2-1-3-8-22/h4-6,9-10H,1-3,7-8H2,(H,18,19,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VLLIHTNLJIYAEM-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: PT00840, Adenosine receptor A1
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3