General Information of the Compound
| Compound ID |
CP0520217
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9303045, 177
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19N3O4
|
||||||||||||||||||
| Molecular Weight |
353.378
|
||||||||||||||||||
| Canonical SMILES |
O=C(OC1CC2COCC(C1)N2)c1cn(-c2ncco2)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19N3O4/c23-18(26-14-7-12-10-24-11-13(8-14)21-12)16-9-22(19-20-5-6-25-19)17-4-2-1-3-15(16)17/h1-6,9,12-14,21H,7-8,10-11H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
QXKOYTICPVMOAR-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