General Information of the Compound
| Compound ID |
CP0958475
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1-(4-(3-(3-((6,7-Dimethoxyquinolin-4-yl)oxy)phenyl)-ureido)-2-(trifluoromethyl)phenyl)piperidin-4-yl)-2-methylpiperidine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H40ClF3N6O5
|
||||||||||||||||||
| Molecular Weight |
729.2
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2nccc(Oc3cccc(NC(=O)Nc4ccc(N5CCC(NC(=O)C6CCNCC6)CC5)c(C(F)(F)F)c4)c3)c2cc1OC.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H39F3N6O5.ClH/c1-48-32-20-27-29(21-33(32)49-2)41-15-10-31(27)50-26-5-3-4-24(18-26)43-35(47)44-25-6-7-30(28(19-25)36(37,38)39)45-16-11-23(12-17-45)42-34(46)22-8-13-40-14-9-22;/h3-7,10,15,18-23,40H,8-9,11-14,16-17H2,1-2H3,(H,42,46)(H2,43,44,47);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
JKQQMNINCVPSMM-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