General Information of the Compound
| Compound ID |
CP0576831
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-bromo-3-fluoropyridin-4-yl)-11-fluoro-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H17BrF2N6O2
|
||||||||||||||||||
| Molecular Weight |
455.263
|
||||||||||||||||||
| Canonical SMILES |
CN1CC(F)Cn2nc3CCN(Cc3c2C1=O)C(=O)Nc1ccnc(Br)c1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H17BrF2N6O2/c1-24-6-9(19)7-26-14(16(24)27)10-8-25(5-3-11(10)23-26)17(28)22-12-2-4-21-15(18)13(12)20/h2,4,9H,3,5-8H2,1H3,(H,21,22,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IHTBZRCYUPWDNB-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 | |||||||||||||||||||
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