General Information of the Compound
| Compound ID |
CP0206375
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(1,4-diazepan-1-yl)-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H25F3N4O3
|
||||||||||||||||||
| Molecular Weight |
474.483
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(nc2ccc(NC(=O)COc3ccc(OC(F)(F)F)cc3)cc12)N1CCCNCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25F3N4O3/c1-16-13-22(31-11-2-9-28-10-12-31)30-21-8-3-17(14-20(16)21)29-23(32)15-33-18-4-6-19(7-5-18)34-24(25,26)27/h3-8,13-14,28H,2,9-12,15H2,1H3,(H,29,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MXDUTTYBWQJNKC-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