General Information of the Compound
| Compound ID |
CP0398980
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-{[4-(6-Fluoroquinolin-2-yl)piperazin-1-yl]methyl}-8-methyl-2,3-dihydro[1,4]dioxino[2,3-f]quinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H25FN4O2
|
||||||||||||||||||
| Molecular Weight |
444.51
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc2c3O[C@@H](CN4CCN(CC4)c4ccc5cc(F)ccc5n4)COc3ccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H25FN4O2/c1-17-2-5-21-23(28-17)7-8-24-26(21)33-20(16-32-24)15-30-10-12-31(13-11-30)25-9-3-18-14-19(27)4-6-22(18)29-25/h2-9,14,20H,10-13,15-16H2,1H3/t20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NRGWSNZJBSMIMP-FQEVSTJZSA-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