General Information of the Compound
| Compound ID |
CP0515046
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9255103, 28
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H17FN4O2
|
||||||||||||||||||
| Molecular Weight |
376.391
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1C#N)C(=O)N1CCn2nc(COc3ccccc3)cc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H17FN4O2/c22-20-7-6-15(10-16(20)12-23)21(27)25-8-9-26-18(13-25)11-17(24-26)14-28-19-4-2-1-3-5-19/h1-7,10-11H,8-9,13-14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
NKQVWHXQWZMTBQ-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