General Information of the Compound
| Compound ID |
CP0321630
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8618286, 10
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H20N4OS
|
||||||||||||||||||
| Molecular Weight |
316.43
|
||||||||||||||||||
| Canonical SMILES |
CNCCN1CCOc2ccc(cc12)N=C(N)c1cccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H20N4OS/c1-18-6-7-20-8-9-21-14-5-4-12(11-13(14)20)19-16(17)15-3-2-10-22-15/h2-5,10-11,18H,6-9H2,1H3,(H2,17,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NJZGBYNRVNNPQI-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