General Information of the Compound
Compound ID
CP0308398
Compound Name
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(4-fluorophenyl)-2-oxoimidazolidine-1-carboxamide
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Structure
Formula
C27H23FN4O5
Molecular Weight
502.502
Canonical SMILES
COc1cc2nccc(Oc3ccc(NC(=O)N4CCN(C4=O)c4ccc(F)cc4)cc3)c2cc1OC
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InChI
InChI=1S/C27H23FN4O5/c1-35-24-15-21-22(16-25(24)36-2)29-12-11-23(21)37-20-9-5-18(6-10-20)30-26(33)32-14-13-31(27(32)34)19-7-3-17(28)4-8-19/h3-12,15-16H,13-14H2,1-2H3,(H,30,33)
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InChIKey
GTVLRDKETAZSES-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).

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PubChem ID
CID: 45483534
ChEMBL ID
CHEMBL576752
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