General Information of the Compound
Compound ID
CP0026134
Compound Name
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
    Show/Hide
Structure
Formula
C27H23FN4O5
Molecular Weight
502.502
Canonical SMILES
COc1cc2nccc(Oc3ccc(NC(=O)N4CCN(C4=O)c4ccccc4)cc3F)c2cc1OC
    Show/Hide
InChI
InChI=1S/C27H23FN4O5/c1-35-24-15-19-21(16-25(24)36-2)29-11-10-22(19)37-23-9-8-17(14-20(23)28)30-26(33)32-13-12-31(27(32)34)18-6-4-3-5-7-18/h3-11,14-16H,12-13H2,1-2H3,(H,30,33)
    Show/Hide
InChIKey
MCTIWUDXKBCHRY-UHFFFAOYSA-N
Physicochemical Property
logP
5.6575
Rotatable Bonds
6
Heavy Atom Count
37
Polar Areas
93.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
37

"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
CID: 23652906
SID: 46524824
ChEMBL ID
CHEMBL573761
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
Protein ID: PT01201, Hepatocyte growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 30 nM
   TI
   LI
   LO
   TS
CL000048 PC-3 Homo sapiens (Human)  1
1
IC50 = 53 nM
   TI
   LI
   LO
   TS
CL000068 A-549 Homo sapiens (Human)  1
1
IC50 = 80 nM
   TI
   LI
   LO
   TS
CL000119 DU145 Homo sapiens (Human)  1
1
IC50 = 80 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 90 nM
2 Ki = 1.7 nM
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000067 HCT 116 Homo sapiens (Human)  1
1
IC50 = 300 nM
   TI
   LI
   LO
   TS