General Information of the Compound
| Compound ID |
CP0416275
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9422297, AAG145-124
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20N4
|
||||||||||||||||||
| Molecular Weight |
316.408
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1ccccc1Nc1nc(N)nc2Cc3ccccc3-c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20N4/c1-12(2)14-8-5-6-10-16(14)22-19-18-15-9-4-3-7-13(15)11-17(18)23-20(21)24-19/h3-10,12H,11H2,1-2H3,(H3,21,22,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DFMQLARCVPAGSC-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