General Information of the Compound
| Compound ID |
CP0373198
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[4-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethoxy]phenyl]-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H33N7O4
|
||||||||||||||||||
| Molecular Weight |
531.617
|
||||||||||||||||||
| Canonical SMILES |
CCCn1c2cc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)N2CCN(CC2)c2cnccn2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H33N7O4/c1-3-11-34-23-17-22(31-26(23)27(37)35(12-4-2)28(34)38)20-5-7-21(8-6-20)39-19-25(36)33-15-13-32(14-16-33)24-18-29-9-10-30-24/h5-10,17-18,31H,3-4,11-16,19H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MQZROKRSWMZJNB-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