General Information of the Compound
Compound ID
CP0290954
Compound Name
N-[4-[6,7-bis(2-methoxyethoxy)quinolin-4-yl]oxy-3-fluorophenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
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Structure
Formula
C31H31FN4O7
Molecular Weight
590.608
Canonical SMILES
COCCOc1cc2nccc(Oc3ccc(NC(=O)N4CCN(C4=O)c4ccccc4)cc3F)c2cc1OCCOC
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InChI
InChI=1S/C31H31FN4O7/c1-39-14-16-41-28-19-23-25(20-29(28)42-17-15-40-2)33-11-10-26(23)43-27-9-8-21(18-24(27)32)34-30(37)36-13-12-35(31(36)38)22-6-4-3-5-7-22/h3-11,18-20H,12-17H2,1-2H3,(H,34,37)
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InChIKey
VCHWZJKWEQBXSH-UHFFFAOYSA-N
Physicochemical Property
logP
5.6907
Rotatable Bonds
12
Heavy Atom Count
43
Polar Areas
111.69
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
43

"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: 24966649
SID: 56264777
ChEMBL ID
CHEMBL574093
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 = 20 nM