General Information of the Compound
| Compound ID |
CP0373200
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[4-[2-[4-(3,5-dichloropyridin-4-yl)piperazin-1-yl]-2-oxoethoxy]phenyl]-3-methyl-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H28Cl2N6O4
|
||||||||||||||||||
| Molecular Weight |
571.465
|
||||||||||||||||||
| Canonical SMILES |
CCCn1c2cc([nH]c2c(=O)n(C)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2c(Cl)cncc2Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H28Cl2N6O4/c1-3-8-35-22-13-21(31-24(22)26(37)32(2)27(35)38)17-4-6-18(7-5-17)39-16-23(36)33-9-11-34(12-10-33)25-19(28)14-30-15-20(25)29/h4-7,13-15,31H,3,8-12,16H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RGSUVGOQHJBZIW-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: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b