General Information of the Compound
| Compound ID |
CP0019368
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-bromo-2-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H16BrN3O3
|
||||||||||||||||||
| Molecular Weight |
378.226
|
||||||||||||||||||
| Canonical SMILES |
CO[C@H]1CCN(Cc2nc3c4cc(Br)ccc4oc3c(=O)[nH]2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H16BrN3O3/c1-22-10-4-5-20(7-10)8-13-18-14-11-6-9(17)2-3-12(11)23-15(14)16(21)19-13/h2-3,6,10H,4-5,7-8H2,1H3,(H,18,19,21)/t10-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YANNSWWYRMATEM-JTQLQIEISA-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