General Information of the Compound
Compound ID
CP0086226
Compound Name
N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-2-oxo-3-phenylimidazolidine-1-carboxamide
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Structure
Formula
C33H34FN5O6
Molecular Weight
615.662
Canonical SMILES
COc1cc2c(Oc3ccc(NC(=O)N4CCN(C4=O)c4ccccc4)cc3F)ccnc2cc1OCCCN1CCOCC1
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InChI
InChI=1S/C33H34FN5O6/c1-42-30-21-25-27(22-31(30)44-17-5-12-37-15-18-43-19-16-37)35-11-10-28(25)45-29-9-8-23(20-26(29)34)36-32(40)39-14-13-38(33(39)41)24-6-3-2-4-7-24/h2-4,6-11,20-22H,5,12-19H2,1H3,(H,36,40)
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InChIKey
UBZDENXYJMPPFG-UHFFFAOYSA-N
Physicochemical Property
logP
5.75
Rotatable Bonds
10
Heavy Atom Count
45
Polar Areas
105.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
45

"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: 24967006
SID: 56265140
ChEMBL ID
CHEMBL574125
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 = 50 nM