General Information of the Compound
| Compound ID |
CP0387468
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[(2,6-Dichlorobenzyl)carbonyl]amino-8-isopentyl-2-(2-furyl)-pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21Cl2N7O2
|
||||||||||||||||||
| Molecular Weight |
498.374
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CCn1cc2c(n1)nc(NC(=O)Cc1c(Cl)cccc1Cl)n1nc(nc21)-c1ccco1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21Cl2N7O2/c1-13(2)8-9-31-12-15-20(29-31)28-23(26-19(33)11-14-16(24)5-3-6-17(14)25)32-22(15)27-21(30-32)18-7-4-10-34-18/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,26,28,29,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BUPUMUMUABAVNX-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