General Information of the Compound
| Compound ID |
CP0521295
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8993565, 65
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H17FN4O4
|
||||||||||||||||||
| Molecular Weight |
348.334
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(F)cc1NC(=O)Cc1nc(cc(=O)[nH]1)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H17FN4O4/c17-10-1-2-12(22)11(7-10)18-15(23)8-13-19-14(9-16(24)20-13)21-3-5-25-6-4-21/h1-2,7,9,22H,3-6,8H2,(H,18,23)(H,19,20,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WSLWZJKHHSBBIB-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