General Information of the Compound
| Compound ID |
CP0496833
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-fluoro-8-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-2-carboxylic acid (4-morpholin-4-ylphenyl)amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28FN5O3
|
||||||||||||||||||
| Molecular Weight |
465.529
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)c1cc(F)cc2c(O)cc(nc12)C(=O)Nc1ccc(cc1)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28FN5O3/c1-29-6-8-31(9-7-29)22-15-17(26)14-20-23(32)16-21(28-24(20)22)25(33)27-18-2-4-19(5-3-18)30-10-12-34-13-11-30/h2-5,14-16H,6-13H2,1H3,(H,27,33)(H,28,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DCLJCEMLLBKMNJ-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