General Information of the Compound
| Compound ID |
CP0564070
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9315498, 169
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19FN2O3
|
||||||||||||||||||
| Molecular Weight |
354.381
|
||||||||||||||||||
| Canonical SMILES |
COC1CN(C(=O)OC1(C)C)c1ccc(cn1)C#Cc1cccc(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19FN2O3/c1-20(2)17(25-3)13-23(19(24)26-20)18-10-9-15(12-22-18)8-7-14-5-4-6-16(21)11-14/h4-6,9-12,17H,13H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RORTXKIKOLHPKX-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