General Information of the Compound
| Compound ID |
CP0430145
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(3-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)propyl)benzo[d][1,3]dioxole-4-sulfonic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H17N7O6S
|
||||||||||||||||||
| Molecular Weight |
483.466
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc2n(CCCc3ccc4OCOc4c3S(O)(=O)=O)ncc2c2nc(nn12)-c1ccco1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H17N7O6S/c21-20-24-18-12(19-23-17(25-27(19)20)14-4-2-8-31-14)9-22-26(18)7-1-3-11-5-6-13-15(33-10-32-13)16(11)34(28,29)30/h2,4-6,8-9H,1,3,7,10H2,(H2,21,24)(H,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VVUWVVNIYXRXJX-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