General Information of the Compound
Compound ID
CP0130005
Compound Name
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(2-methoxyphenyl)-2-oxoimidazolidine-1-carboxamide
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Structure
Formula
C28H25FN4O6
Molecular Weight
532.528
Canonical SMILES
COc1cc2nccc(Oc3ccc(NC(=O)N4CCN(C4=O)c4ccccc4OC)cc3F)c2cc1OC
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InChI
InChI=1S/C28H25FN4O6/c1-36-24-7-5-4-6-21(24)32-12-13-33(28(32)35)27(34)31-17-8-9-23(19(29)14-17)39-22-10-11-30-20-16-26(38-3)25(37-2)15-18(20)22/h4-11,14-16H,12-13H2,1-3H3,(H,31,34)
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InChIKey
ZLVXEVKJMOYSCY-UHFFFAOYSA-N
Physicochemical Property
logP
5.6661
Rotatable Bonds
7
Heavy Atom Count
39
Polar Areas
102.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
39

"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: 45483464
ChEMBL ID
CHEMBL575698
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 = 50 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 150 nM