General Information of the Compound
| Compound ID |
CP0460650
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9586948, Example 28
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18N6O2
|
||||||||||||||||||
| Molecular Weight |
362.393
|
||||||||||||||||||
| Canonical SMILES |
Cn1cc(NC(=O)c2cccc(n2)-c2ccc(nc2)C2CC2)c(n1)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18N6O2/c1-25-10-16(17(24-25)18(20)26)23-19(27)15-4-2-3-14(22-15)12-7-8-13(21-9-12)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H2,20,26)(H,23,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CGIKUWBEYOYGOY-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