General Information of the Compound
| Compound ID |
CP0462934
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8772304, 32
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22N6O
|
||||||||||||||||||
| Molecular Weight |
374.448
|
||||||||||||||||||
| Canonical SMILES |
COc1ncccc1-c1nc2cc(ccc2n1C(C)(C)C)-c1cnc(N)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22N6O/c1-21(2,3)27-17-8-7-13(14-11-24-20(22)25-12-14)10-16(17)26-18(27)15-6-5-9-23-19(15)28-4/h5-12H,1-4H3,(H2,22,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QHAWSJSJQQZZFD-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