General Information of the Compound
| Compound ID |
CP0412435
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[2-methoxy-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H29N5O5
|
||||||||||||||||||
| Molecular Weight |
503.559
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OCC(=O)N2CCN(CC2)c2ccccc2)ccc1-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29N5O5/c1-29-22-16-21(28-25(22)26(34)30(2)27(29)35)20-10-9-19(15-23(20)36-3)37-17-24(33)32-13-11-31(12-14-32)18-7-5-4-6-8-18/h4-10,15-16,28H,11-14,17H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
CSSFLQDIZXHZCC-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