General Information of the Compound
| Compound ID |
CP0504119
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8962612, 28
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H15F3N4O
|
||||||||||||||||||
| Molecular Weight |
348.328
|
||||||||||||||||||
| Canonical SMILES |
NC(N)=NC(=O)N1CCc2c(F)ccc(c2C1)-c1c(F)cccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H15F3N4O/c18-12-5-4-10(15-13(19)2-1-3-14(15)20)11-8-24(7-6-9(11)12)17(25)23-16(21)22/h1-5H,6-8H2,(H4,21,22,23,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IKACHYWQMBLVRI-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