General Information of the Compound
| Compound ID |
CP0495718
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10266549, Example 161a
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H15F3N6
|
||||||||||||||||||
| Molecular Weight |
348.332
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cnc(Nc2cnc3[nH]ccc3c2)nc1NC1CCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H15F3N6/c17-16(18,19)12-8-22-15(25-14(12)23-10-2-1-3-10)24-11-6-9-4-5-20-13(9)21-7-11/h4-8,10H,1-3H2,(H,20,21)(H2,22,23,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CXXJPTXXNKELSZ-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