General Information of the Compound
| Compound ID |
CP0506709
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9303045, 189
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22N4O3
|
||||||||||||||||||
| Molecular Weight |
378.432
|
||||||||||||||||||
| Canonical SMILES |
CN1C2COCC1CC(C2)OC(=O)c1cn(-c2cncnc2)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22N4O3/c1-24-14-6-17(7-15(24)12-27-11-14)28-21(26)19-10-25(16-8-22-13-23-9-16)20-5-3-2-4-18(19)20/h2-5,8-10,13-15,17H,6-7,11-12H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FLXXKLPIIBLTAG-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