General Information of the Compound
| Compound ID |
CP0566043
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9346810, 7
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H18N6O
|
||||||||||||||||||
| Molecular Weight |
298.35
|
||||||||||||||||||
| Canonical SMILES |
CN(C1CCCN(C1)c1ncnc2[nH]ccc12)C(=O)CC#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H18N6O/c1-20(13(22)4-6-16)11-3-2-8-21(9-11)15-12-5-7-17-14(12)18-10-19-15/h5,7,10-11H,2-4,8-9H2,1H3,(H,17,18,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JEYFUWJVRMLTRZ-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