General Information of the Compound
Compound ID
CP0298489
Compound Name
N-[6-(6,7-dimethoxyquinolin-4-yl)oxypyridin-3-yl]-2-oxo-3-phenylimidazolidine-1-carboxamide
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Structure
Formula
C26H23N5O5
Molecular Weight
485.5
Canonical SMILES
COc1cc2nccc(Oc3ccc(NC(=O)N4CCN(C4=O)c4ccccc4)cn3)c2cc1OC
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InChI
InChI=1S/C26H23N5O5/c1-34-22-14-19-20(15-23(22)35-2)27-11-10-21(19)36-24-9-8-17(16-28-24)29-25(32)31-13-12-30(26(31)33)18-6-4-3-5-7-18/h3-11,14-16H,12-13H2,1-2H3,(H,29,32)
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InChIKey
WKSPEMJYGRTLBW-UHFFFAOYSA-N
Physicochemical Property
logP
4.9134
Rotatable Bonds
6
Heavy Atom Count
36
Polar Areas
106.12
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
36

"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).

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PubChem ID
CID: 45483535
ChEMBL ID
CHEMBL574230
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 = 60 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 5000 nM