General Information of the Compound
| Compound ID |
CP0419457
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9150519, 1-90
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H22N6O2
|
||||||||||||||||||
| Molecular Weight |
366.425
|
||||||||||||||||||
| Canonical SMILES |
COCCN(CC1CC1)c1cc(ncn1)C(=O)Nc1ccc2[nH]ncc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H22N6O2/c1-27-7-6-25(11-13-2-3-13)18-9-17(20-12-21-18)19(26)23-15-4-5-16-14(8-15)10-22-24-16/h4-5,8-10,12-13H,2-3,6-7,11H2,1H3,(H,22,24)(H,23,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XZGQKWWODUUERO-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