General Information of the Compound
| Compound ID |
CP0438806
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[4-[[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]-3-propyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H20BrN5O4
|
||||||||||||||||||
| Molecular Weight |
522.359
|
||||||||||||||||||
| Canonical SMILES |
CCCn1c(=O)[nH]c2cc([nH]c2c1=O)-c1ccc(OCc2nc(no2)-c2ccc(Br)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H20BrN5O4/c1-2-11-30-23(31)21-19(27-24(30)32)12-18(26-21)14-5-9-17(10-6-14)33-13-20-28-22(29-34-20)15-3-7-16(25)8-4-15/h3-10,12,26H,2,11,13H2,1H3,(H,27,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SFDSAZITGYYOOU-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