General Information of the Compound
Compound ID
CP0280671
Compound Name
3-allyl-N-(4-(6,7-dimethoxyquinolin-4-yloxy)-3-fluorophenyl)-2-oxoimidazolidine-1-carboxamide
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Structure
Formula
C24H23FN4O5
Molecular Weight
466.469
Canonical SMILES
COc1cc2nccc(Oc3ccc(NC(=O)N4CCN(CC=C)C4=O)cc3F)c2cc1OC
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InChI
InChI=1S/C24H23FN4O5/c1-4-9-28-10-11-29(24(28)31)23(30)27-15-5-6-20(17(25)12-15)34-19-7-8-26-18-14-22(33-3)21(32-2)13-16(18)19/h4-8,12-14H,1,9-11H2,2-3H3,(H,27,30)
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InChIKey
HUJDVSDTOYLYKD-UHFFFAOYSA-N
Physicochemical Property
logP
4.6389
Rotatable Bonds
7
Heavy Atom Count
34
Polar Areas
93.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
34

"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: 45483428
ChEMBL ID
CHEMBL574628
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 = 200 nM
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