General Information of the Compound
| Compound ID |
CP0403558
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3R,4S,5R)-2-[6-amino-2-[1-(4-methoxyphenyl)propan-2-ylamino]purin-9-yl]-5-(2-ethyltetrazol-5-yl)oxolane-3,4-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H28N10O4
|
||||||||||||||||||
| Molecular Weight |
496.532
|
||||||||||||||||||
| Canonical SMILES |
CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(NC(C)Cc3ccc(OC)cc3)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H28N10O4/c1-4-32-29-19(28-30-32)17-15(33)16(34)21(36-17)31-10-24-14-18(23)26-22(27-20(14)31)25-11(2)9-12-5-7-13(35-3)8-6-12/h5-8,10-11,15-17,21,33-34H,4,9H2,1-3H3,(H3,23,25,26,27)/t11?,15-,16+,17-,21+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WOKSHSWUKATBJD-BYZAXBFFSA-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: PT01279, Adenosine receptor A3