General Information of the Compound
| Compound ID |
CP0539790
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-N-[2-(8-fluoro-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-6-methylquinolin-4-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23FN4O
|
||||||||||||||||||
| Molecular Weight |
378.451
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc2nc(cc(NC(=O)CN)c2c1)N1CCCc2ccc(F)cc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23FN4O/c1-14-4-7-19-18(9-14)20(26-22(28)12-24)11-21(25-19)27-8-2-3-15-5-6-17(23)10-16(15)13-27/h4-7,9-11H,2-3,8,12-13,24H2,1H3,(H,25,26,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HDIYBJWRKYJODL-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