General Information of the Compound
| Compound ID |
CP0904770
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[({[2-(2-Furyl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo-[1,5-c]pyrimidin-5-yl]amino}carbonyl)amino]-N-(4-methylpiperazin-1-yl)piperidine-1-carboxamide Trifluoroacetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30F3N11O5
|
||||||||||||||||||
| Molecular Weight |
621.581
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(C(=O)N2CCC(NC(=O)Nc3nc4nn(C)cc4c4nc(-c5ccco5)nn34)CC2)CC1.O=C(O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H29N11O3.C2HF3O2/c1-30-9-11-33(12-10-30)23(36)32-7-5-15(6-8-32)24-22(35)27-21-26-18-16(14-31(2)28-18)20-25-19(29-34(20)21)17-4-3-13-37-17;3-2(4,5)1(6)7/h3-4,13-15H,5-12H2,1-2H3,(H2,24,26,27,28,35);(H,6,7)
Show/Hide
|
||||||||||||||||||
| InChIKey |
USJVZWSGWXMRJB-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3