General Information of the Compound
Compound ID
CP0191194
Compound Name
N-[3-fluoro-4-[6-methoxy-7-(piperidin-4-ylmethoxy)quinolin-4-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
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Structure
Formula
C32H32FN5O5
Molecular Weight
585.636
Canonical SMILES
COc1cc2c(Oc3ccc(NC(=O)N4CCN(C4=O)c4ccccc4)cc3F)ccnc2cc1OCC1CCNCC1
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InChI
InChI=1S/C32H32FN5O5/c1-41-29-18-24-26(19-30(29)42-20-21-9-12-34-13-10-21)35-14-11-27(24)43-28-8-7-22(17-25(28)33)36-31(39)38-16-15-37(32(38)40)23-5-3-2-4-6-23/h2-8,11,14,17-19,21,34H,9-10,12-13,15-16,20H2,1H3,(H,36,39)
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InChIKey
BBKJRGBHVYSTNV-UHFFFAOYSA-N
Physicochemical Property
logP
6.0273
Rotatable Bonds
8
Heavy Atom Count
43
Polar Areas
105.26
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
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: 24967008
SID: 56265142
ChEMBL ID
CHEMBL582927
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 = 40 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 80 nM