General Information of the Compound
| Compound ID |
CP0903161
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(3-(5-Amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7yl)propyl)phenoxy)-N-(6-aminohexyl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H33N9O3
|
||||||||||||||||||
| Molecular Weight |
531.621
|
||||||||||||||||||
| Canonical SMILES |
NCCCCCCNC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(-c4ccco4)nc32)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H33N9O3/c28-13-3-1-2-4-14-30-23(37)18-39-20-11-9-19(10-12-20)7-5-15-35-25-21(17-31-35)26-32-24(22-8-6-16-38-22)34-36(26)27(29)33-25/h6,8-12,16-17H,1-5,7,13-15,18,28H2,(H2,29,33)(H,30,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IIWORMMMUYFWCH-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: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3