General Information of the Compound
| Compound ID |
CP0958476
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1-(4-(3-(3-((6,7-Dimethoxyquinolin-4-yl)oxy)phenyl)-ureido)-2-(trifluoromethyl)phenyl)piperidin-3-yl)-propionamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H34F3N5O5
|
||||||||||||||||||
| Molecular Weight |
637.659
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)NC1CCCN(c2ccc(NC(=O)Nc3cccc(Oc4ccnc5cc(OC)c(OC)cc45)c3)cc2C(F)(F)F)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H34F3N5O5/c1-4-31(42)38-22-8-6-14-41(19-22)27-11-10-21(16-25(27)33(34,35)36)40-32(43)39-20-7-5-9-23(15-20)46-28-12-13-37-26-18-30(45-3)29(44-2)17-24(26)28/h5,7,9-13,15-18,22H,4,6,8,14,19H2,1-3H3,(H,38,42)(H2,39,40,43)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZQZVJSQSSQNBNL-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