General Information of the Compound
| Compound ID |
CP0377858
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(3-(5-Amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)phenoxy)-N-(2-((2-aminoethyl)amino)ethyl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30N10O3
|
||||||||||||||||||
| Molecular Weight |
518.582
|
||||||||||||||||||
| Canonical SMILES |
NCCNCCNC(=O)COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30N10O3/c26-9-10-28-11-12-29-21(36)16-38-18-7-5-17(6-8-18)3-1-13-34-23-19(15-30-34)24-31-22(20-4-2-14-37-20)33-35(24)25(27)32-23/h2,4-8,14-15,28H,1,3,9-13,16,26H2,(H2,27,32)(H,29,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FVDKKXZJHQXIAF-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: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3