General Information of the Compound
| Compound ID |
CP0579499
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10035794, Example 16
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18F4N6O2
|
||||||||||||||||||
| Molecular Weight |
450.396
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(cnc1C(=O)Nc1cc(c(F)cn1)[C@]1(C)CO[C@](C)(C(N)=N1)C(F)(F)F)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18F4N6O2/c1-10-4-11(6-25)7-28-15(10)16(31)29-14-5-12(13(21)8-27-14)18(2)9-32-19(3,17(26)30-18)20(22,23)24/h4-5,7-8H,9H2,1-3H3,(H2,26,30)(H,27,29,31)/t18-,19+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VAFUDQUXHDFJQT-RBUKOAKNSA-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