General Information of the Compound
| Compound ID |
CP0478262
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9163011, 14
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19F3N6O3
|
||||||||||||||||||
| Molecular Weight |
448.405
|
||||||||||||||||||
| Canonical SMILES |
COCC#Cc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(N)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19F3N6O3/c1-19(20(22,23)10-32-18(25)29-19)16-12(21)5-6-14(27-16)28-17(30)15-13(24)8-11(9-26-15)4-3-7-31-2/h5-6,8-9H,7,10,24H2,1-2H3,(H2,25,29)(H,27,28,30)/t19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OWNJETMTIIFDJG-LJQANCHMSA-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