General Information of the Compound
| Compound ID |
CP0470376
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-{5-chloro-4-[2-methyl-4-(2-methyl-2H-pyrazol-3-yl)-quinolin-8-yloxymethyl]-pyridin-3-ylmethyl}-3-trifluoromethyl-1H-pyridin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H21ClF3N5O2
|
||||||||||||||||||
| Molecular Weight |
539.945
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3Cn3cccc(c3=O)C(F)(F)F)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H21ClF3N5O2/c1-16-11-19(23-8-9-33-35(23)2)18-5-3-7-24(25(18)34-16)38-15-20-17(12-32-13-22(20)28)14-36-10-4-6-21(26(36)37)27(29,30)31/h3-13H,14-15H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XKEXLBKETGLOPJ-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