General Information of the Compound
| Compound ID |
CP0576400
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9278960, 4-25
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18F3N3O
|
||||||||||||||||||
| Molecular Weight |
385.389
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC(F)(F)C3)cc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18F3N3O/c22-15-4-2-14(3-5-15)17-10-19(20(25)28)26-18-9-13(1-6-16(17)18)11-27-8-7-21(23,24)12-27/h1-6,9-10H,7-8,11-12H2,(H2,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZCJBXYJAXXZOLN-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