General Information of the Compound
| Compound ID |
CP0172424
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27F3N4O3
|
||||||||||||||||||
| Molecular Weight |
488.51
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1CN(C[C@@H](C)N1)c1cc(C)c2cc(NC(=O)COc3ccc(OC(F)(F)F)cc3)ccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27F3N4O3/c1-15-10-23(32-12-16(2)29-17(3)13-32)31-22-9-4-18(11-21(15)22)30-24(33)14-34-19-5-7-20(8-6-19)35-25(26,27)28/h4-11,16-17,29H,12-14H2,1-3H3,(H,30,33)/t16-,17+
Show/Hide
|
||||||||||||||||||
| InChIKey |
GUFUIBGYQAWOSU-CALCHBBNSA-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