General Information of the Compound
| Compound ID |
CP0884489
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Amino-N6-(2,2-diphenylethyl)adenosine-5'-N-methylcarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27N7O4
|
||||||||||||||||||
| Molecular Weight |
489.536
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(N)nc32)[C@H](O)[C@@H]1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27N7O4/c1-27-23(35)20-18(33)19(34)24(36-20)32-13-29-17-21(30-25(26)31-22(17)32)28-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13,16,18-20,24,33-34H,12H2,1H3,(H,27,35)(H3,26,28,30,31)/t18-,19+,20-,24+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
REYVJXXPFHKIOC-CMCWBKRRSA-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